USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 789 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 84 MET CE :methyl 161:sc= -1.23 (180deg=-3.12!) USER MOD Set 1.2: B 11 THR OG1 : rot -152:sc= -0.0597 USER MOD Set 2.1: A 80 ASN : amide:sc= -3.54! C(o=-6.2!,f=-14!) USER MOD Set 2.2: A 81 GLN : amide:sc= -2.7! C(o=-6.2!,f=-8.3!) USER MOD Set 3.1: A 78 LYS NZ :NH3+ -134:sc= 0.365 (180deg=0.0181) USER MOD Set 3.2: A 86 THR OG1 : rot 82:sc= 0.0158 USER MOD Set 4.1: A 31 LYS NZ :NH3+ -117:sc= -0.825 (180deg=-1.6!) USER MOD Set 4.2: A 33 ASN : amide:sc= -1.5 X(o=-2.3,f=-2.1!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.311 X(o=-0.31,f=-0.27) USER MOD Single : A 21 SER OG : rot -26:sc= -1.29 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0.00107 USER MOD Single : A 35 SER OG : rot 51:sc= -1.39 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ -112:sc= 0.0968 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.646 K(o=-0.65,f=-0.067) USER MOD Single : A 56 SER OG : rot -120:sc= -0.43 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -2.38! C(o=-2.4!,f=-2.1!) USER MOD Single : A 66 GLN : amide:sc= -5.21 K(o=-5.2,f=-8.7!) USER MOD Single : A 71 ASN : amide:sc= -12.9! C(o=-13!,f=-13!) USER MOD Single : A 74 SER OG : rot 2:sc= 0.437 USER MOD Single : A 90 SER OG : rot 118:sc= 0.168 USER MOD Single : A 91 MET CE :methyl -152:sc= -8.07! (180deg=-10.3!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -1.97! K(o=-2!,f=-0.84) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 MET CE :methyl -169:sc= -2.56 (180deg=-3.23!) USER MOD Single : A 102 GLN : amide:sc= -4.14 K(o=-4.1,f=-8.1!) USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 46 N GLU A 10 -3.624 -4.143 -7.926 1.00 0.00 N ATOM 47 CA GLU A 10 -3.512 -3.101 -8.940 1.00 0.00 C ATOM 48 C GLU A 10 -2.352 -2.158 -8.631 1.00 0.00 C ATOM 49 O GLU A 10 -2.032 -1.915 -7.466 1.00 0.00 O ATOM 50 CB GLU A 10 -4.816 -2.307 -9.033 1.00 0.00 C ATOM 51 CG GLU A 10 -5.319 -1.802 -7.691 1.00 0.00 C ATOM 52 CD GLU A 10 -6.733 -1.260 -7.764 1.00 0.00 C ATOM 53 OE1 GLU A 10 -7.454 -1.610 -8.722 1.00 0.00 O ATOM 54 OE2 GLU A 10 -7.119 -0.488 -6.862 1.00 0.00 O ATOM 0 HA GLU A 10 -3.318 -3.584 -9.898 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.667 -1.457 -9.699 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.583 -2.936 -9.486 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.282 -2.614 -6.965 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.652 -1.020 -7.328 1.00 0.00 H new ATOM 61 N PHE A 11 -1.733 -1.630 -9.683 1.00 0.00 N ATOM 62 CA PHE A 11 -0.610 -0.709 -9.534 1.00 0.00 C ATOM 63 C PHE A 11 -1.107 0.728 -9.410 1.00 0.00 C ATOM 64 O PHE A 11 -2.118 1.097 -10.008 1.00 0.00 O ATOM 65 CB PHE A 11 0.340 -0.832 -10.725 1.00 0.00 C ATOM 66 CG PHE A 11 0.938 -2.203 -10.875 1.00 0.00 C ATOM 67 CD1 PHE A 11 1.640 -2.784 -9.832 1.00 0.00 C ATOM 68 CD2 PHE A 11 0.798 -2.908 -12.060 1.00 0.00 C ATOM 69 CE1 PHE A 11 2.193 -4.043 -9.966 1.00 0.00 C ATOM 70 CE2 PHE A 11 1.347 -4.169 -12.200 1.00 0.00 C ATOM 71 CZ PHE A 11 2.046 -4.737 -11.152 1.00 0.00 C ATOM 0 H PHE A 11 -1.991 -1.825 -10.650 1.00 0.00 H new ATOM 0 HA PHE A 11 -0.071 -0.971 -8.624 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -0.199 -0.577 -11.638 1.00 0.00 H new ATOM 0 HB3 PHE A 11 1.143 -0.104 -10.616 1.00 0.00 H new ATOM 0 HD1 PHE A 11 1.757 -2.246 -8.903 1.00 0.00 H new ATOM 0 HD2 PHE A 11 0.254 -2.468 -12.883 1.00 0.00 H new ATOM 0 HE1 PHE A 11 2.739 -4.484 -9.145 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.230 -4.710 -13.128 1.00 0.00 H new ATOM 0 HZ PHE A 11 2.477 -5.722 -11.260 1.00 0.00 H new ATOM 81 N LEU A 12 -0.397 1.535 -8.625 1.00 0.00 N ATOM 82 CA LEU A 12 -0.782 2.928 -8.421 1.00 0.00 C ATOM 83 C LEU A 12 0.438 3.840 -8.380 1.00 0.00 C ATOM 84 O LEU A 12 1.210 3.820 -7.422 1.00 0.00 O ATOM 85 CB LEU A 12 -1.577 3.088 -7.120 1.00 0.00 C ATOM 86 CG LEU A 12 -2.337 1.844 -6.651 1.00 0.00 C ATOM 87 CD1 LEU A 12 -2.107 1.605 -5.167 1.00 0.00 C ATOM 88 CD2 LEU A 12 -3.822 1.982 -6.950 1.00 0.00 C ATOM 0 H LEU A 12 0.444 1.250 -8.122 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.408 3.217 -9.265 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.890 3.391 -6.330 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.292 3.901 -7.250 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.957 0.981 -7.198 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.655 0.717 -4.852 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.043 1.459 -4.983 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.458 2.468 -4.601 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.346 1.089 -6.610 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.218 2.855 -6.431 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.967 2.101 -8.024 1.00 0.00 H new ATOM 100 N THR A 13 0.594 4.651 -9.415 1.00 0.00 N ATOM 101 CA THR A 13 1.708 5.588 -9.491 1.00 0.00 C ATOM 102 C THR A 13 1.403 6.829 -8.658 1.00 0.00 C ATOM 103 O THR A 13 0.250 7.249 -8.562 1.00 0.00 O ATOM 104 CB THR A 13 1.977 5.983 -10.943 1.00 0.00 C ATOM 105 OG1 THR A 13 1.948 4.845 -11.786 1.00 0.00 O ATOM 106 CG2 THR A 13 3.312 6.666 -11.139 1.00 0.00 C ATOM 0 H THR A 13 -0.037 4.680 -10.216 1.00 0.00 H new ATOM 0 HA THR A 13 2.599 5.103 -9.093 1.00 0.00 H new ATOM 0 HB THR A 13 1.186 6.686 -11.203 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.121 5.119 -12.711 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.440 6.920 -12.191 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.347 7.576 -10.540 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.113 5.995 -10.828 1.00 0.00 H new ATOM 114 N PHE A 14 2.430 7.406 -8.042 1.00 0.00 N ATOM 115 CA PHE A 14 2.236 8.585 -7.208 1.00 0.00 C ATOM 116 C PHE A 14 3.357 9.603 -7.383 1.00 0.00 C ATOM 117 O PHE A 14 4.372 9.334 -8.024 1.00 0.00 O ATOM 118 CB PHE A 14 2.129 8.184 -5.737 1.00 0.00 C ATOM 119 CG PHE A 14 0.821 7.532 -5.383 1.00 0.00 C ATOM 120 CD1 PHE A 14 -0.374 8.022 -5.888 1.00 0.00 C ATOM 121 CD2 PHE A 14 0.787 6.432 -4.542 1.00 0.00 C ATOM 122 CE1 PHE A 14 -1.578 7.426 -5.560 1.00 0.00 C ATOM 123 CE2 PHE A 14 -0.414 5.831 -4.211 1.00 0.00 C ATOM 124 CZ PHE A 14 -1.597 6.330 -4.721 1.00 0.00 C ATOM 0 H PHE A 14 3.395 7.080 -8.104 1.00 0.00 H new ATOM 0 HA PHE A 14 1.306 9.055 -7.529 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.943 7.500 -5.496 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.263 9.070 -5.117 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.364 8.879 -6.545 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.709 6.039 -4.140 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.502 7.817 -5.960 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.427 4.973 -3.555 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.536 5.863 -4.463 1.00 0.00 H new ATOM 134 N GLU A 15 3.152 10.773 -6.790 1.00 0.00 N ATOM 135 CA GLU A 15 4.119 11.862 -6.836 1.00 0.00 C ATOM 136 C GLU A 15 4.108 12.593 -5.499 1.00 0.00 C ATOM 137 O GLU A 15 3.177 13.342 -5.204 1.00 0.00 O ATOM 138 CB GLU A 15 3.782 12.827 -7.974 1.00 0.00 C ATOM 139 CG GLU A 15 3.384 12.132 -9.266 1.00 0.00 C ATOM 140 CD GLU A 15 1.962 11.610 -9.233 1.00 0.00 C ATOM 141 OE1 GLU A 15 1.076 12.330 -8.726 1.00 0.00 O ATOM 142 OE2 GLU A 15 1.732 10.482 -9.717 1.00 0.00 O ATOM 0 H GLU A 15 2.308 10.993 -6.262 1.00 0.00 H new ATOM 0 HA GLU A 15 5.114 11.457 -7.020 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.968 13.479 -7.657 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.645 13.465 -8.166 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.492 12.829 -10.097 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.067 11.303 -9.454 1.00 0.00 H new ATOM 149 N VAL A 16 5.118 12.340 -4.673 1.00 0.00 N ATOM 150 CA VAL A 16 5.180 12.946 -3.348 1.00 0.00 C ATOM 151 C VAL A 16 6.202 14.079 -3.258 1.00 0.00 C ATOM 152 O VAL A 16 7.407 13.842 -3.314 1.00 0.00 O ATOM 153 CB VAL A 16 5.531 11.887 -2.286 1.00 0.00 C ATOM 154 CG1 VAL A 16 5.370 12.457 -0.886 1.00 0.00 C ATOM 155 CG2 VAL A 16 4.672 10.646 -2.463 1.00 0.00 C ATOM 0 H VAL A 16 5.900 11.724 -4.896 1.00 0.00 H new ATOM 0 HA VAL A 16 4.191 13.365 -3.162 1.00 0.00 H new ATOM 0 HB VAL A 16 6.574 11.602 -2.419 1.00 0.00 H new ATOM 0 HG11 VAL A 16 5.623 11.693 -0.151 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.034 13.313 -0.763 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.338 12.775 -0.739 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.935 9.910 -1.703 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.620 10.914 -2.360 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.843 10.223 -3.453 1.00 0.00 H new ATOM 165 N PRO A 17 5.731 15.331 -3.086 1.00 0.00 N ATOM 166 CA PRO A 17 6.613 16.488 -2.952 1.00 0.00 C ATOM 167 C PRO A 17 7.096 16.637 -1.513 1.00 0.00 C ATOM 168 O PRO A 17 6.291 16.645 -0.584 1.00 0.00 O ATOM 169 CB PRO A 17 5.701 17.647 -3.339 1.00 0.00 C ATOM 170 CG PRO A 17 4.346 17.224 -2.883 1.00 0.00 C ATOM 171 CD PRO A 17 4.310 15.715 -2.980 1.00 0.00 C ATOM 0 HA PRO A 17 7.515 16.421 -3.561 1.00 0.00 H new ATOM 0 HB2 PRO A 17 6.011 18.574 -2.856 1.00 0.00 H new ATOM 0 HB3 PRO A 17 5.720 17.825 -4.414 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.162 17.551 -1.860 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.571 17.671 -3.505 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.840 15.270 -2.103 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.741 15.384 -3.849 1.00 0.00 H new ATOM 179 N LEU A 18 8.408 16.737 -1.327 1.00 0.00 N ATOM 180 CA LEU A 18 8.973 16.858 0.014 1.00 0.00 C ATOM 181 C LEU A 18 9.776 18.135 0.182 1.00 0.00 C ATOM 182 O LEU A 18 10.699 18.194 0.993 1.00 0.00 O ATOM 183 CB LEU A 18 9.865 15.663 0.305 1.00 0.00 C ATOM 184 CG LEU A 18 10.882 15.384 -0.791 1.00 0.00 C ATOM 185 CD1 LEU A 18 12.242 15.057 -0.194 1.00 0.00 C ATOM 186 CD2 LEU A 18 10.401 14.258 -1.692 1.00 0.00 C ATOM 0 H LEU A 18 9.096 16.737 -2.080 1.00 0.00 H new ATOM 0 HA LEU A 18 8.141 16.890 0.717 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.392 15.833 1.244 1.00 0.00 H new ATOM 0 HB3 LEU A 18 9.242 14.780 0.445 1.00 0.00 H new ATOM 0 HG LEU A 18 10.988 16.284 -1.397 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.954 14.861 -0.996 1.00 0.00 H new ATOM 0 HD12 LEU A 18 12.590 15.901 0.402 1.00 0.00 H new ATOM 0 HD13 LEU A 18 12.158 14.175 0.440 1.00 0.00 H new ATOM 0 HD21 LEU A 18 11.142 14.073 -2.470 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.262 13.353 -1.101 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.454 14.540 -2.152 1.00 0.00 H new ATOM 198 N ASN A 19 9.415 19.159 -0.576 1.00 0.00 N ATOM 199 CA ASN A 19 10.096 20.455 -0.497 1.00 0.00 C ATOM 200 C ASN A 19 10.401 20.819 0.957 1.00 0.00 C ATOM 201 O ASN A 19 11.389 21.495 1.248 1.00 0.00 O ATOM 202 CB ASN A 19 9.245 21.559 -1.133 1.00 0.00 C ATOM 203 CG ASN A 19 7.758 21.243 -1.130 1.00 0.00 C ATOM 204 OD1 ASN A 19 7.146 21.078 -2.186 1.00 0.00 O ATOM 205 ND2 ASN A 19 7.169 21.154 0.058 1.00 0.00 N ATOM 0 H ASN A 19 8.655 19.124 -1.255 1.00 0.00 H new ATOM 0 HA ASN A 19 11.033 20.370 -1.047 1.00 0.00 H new ATOM 0 HB2 ASN A 19 9.413 22.493 -0.597 1.00 0.00 H new ATOM 0 HB3 ASN A 19 9.575 21.717 -2.160 1.00 0.00 H new ATOM 0 HD21 ASN A 19 6.173 20.942 0.119 1.00 0.00 H new ATOM 0 HD22 ASN A 19 7.713 21.298 0.909 1.00 0.00 H new ATOM 212 N ASP A 20 9.548 20.349 1.858 1.00 0.00 N ATOM 213 CA ASP A 20 9.712 20.595 3.284 1.00 0.00 C ATOM 214 C ASP A 20 9.979 19.287 4.015 1.00 0.00 C ATOM 215 O ASP A 20 10.684 19.256 5.024 1.00 0.00 O ATOM 216 CB ASP A 20 8.463 21.259 3.861 1.00 0.00 C ATOM 217 CG ASP A 20 8.133 22.572 3.179 1.00 0.00 C ATOM 218 OD1 ASP A 20 8.497 22.733 1.994 1.00 0.00 O ATOM 219 OD2 ASP A 20 7.514 23.441 3.828 1.00 0.00 O ATOM 0 H ASP A 20 8.728 19.790 1.623 1.00 0.00 H new ATOM 0 HA ASP A 20 10.562 21.264 3.420 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.616 20.580 3.762 1.00 0.00 H new ATOM 0 HB3 ASP A 20 8.609 21.434 4.927 1.00 0.00 H new ATOM 224 N SER A 21 9.409 18.206 3.491 1.00 0.00 N ATOM 225 CA SER A 21 9.579 16.888 4.080 1.00 0.00 C ATOM 226 C SER A 21 10.987 16.352 3.833 1.00 0.00 C ATOM 227 O SER A 21 11.363 15.312 4.375 1.00 0.00 O ATOM 228 CB SER A 21 8.543 15.919 3.508 1.00 0.00 C ATOM 229 OG SER A 21 8.718 14.614 4.033 1.00 0.00 O ATOM 0 H SER A 21 8.823 18.221 2.656 1.00 0.00 H new ATOM 0 HA SER A 21 9.433 16.977 5.156 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.540 16.276 3.741 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.628 15.891 2.422 1.00 0.00 H new ATOM 0 HG SER A 21 9.651 14.494 4.306 1.00 0.00 H new ATOM 235 N GLY A 22 11.767 17.064 3.014 1.00 0.00 N ATOM 236 CA GLY A 22 13.124 16.635 2.721 1.00 0.00 C ATOM 237 C GLY A 22 13.881 16.205 3.963 1.00 0.00 C ATOM 238 O GLY A 22 14.777 15.364 3.895 1.00 0.00 O ATOM 0 H GLY A 22 11.481 17.927 2.551 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.094 15.807 2.013 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.662 17.450 2.236 1.00 0.00 H new ATOM 242 N SER A 23 13.513 16.781 5.106 1.00 0.00 N ATOM 243 CA SER A 23 14.156 16.450 6.371 1.00 0.00 C ATOM 244 C SER A 23 13.508 15.220 6.999 1.00 0.00 C ATOM 245 O SER A 23 14.178 14.407 7.635 1.00 0.00 O ATOM 246 CB SER A 23 14.071 17.634 7.335 1.00 0.00 C ATOM 247 OG SER A 23 14.887 18.708 6.900 1.00 0.00 O ATOM 0 H SER A 23 12.773 17.479 5.180 1.00 0.00 H new ATOM 0 HA SER A 23 15.205 16.228 6.173 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.037 17.968 7.414 1.00 0.00 H new ATOM 0 HB3 SER A 23 14.381 17.318 8.331 1.00 0.00 H new ATOM 0 HG SER A 23 14.813 19.452 7.533 1.00 0.00 H new ATOM 253 N ALA A 24 12.197 15.089 6.813 1.00 0.00 N ATOM 254 CA ALA A 24 11.455 13.958 7.357 1.00 0.00 C ATOM 255 C ALA A 24 11.451 12.774 6.392 1.00 0.00 C ATOM 256 O ALA A 24 10.734 11.798 6.605 1.00 0.00 O ATOM 257 CB ALA A 24 10.025 14.374 7.678 1.00 0.00 C ATOM 0 H ALA A 24 11.627 15.753 6.289 1.00 0.00 H new ATOM 0 HA ALA A 24 11.954 13.642 8.273 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.480 13.521 8.084 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.037 15.180 8.412 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.534 14.719 6.768 1.00 0.00 H new ATOM 263 N GLY A 25 12.246 12.863 5.326 1.00 0.00 N ATOM 264 CA GLY A 25 12.299 11.789 4.351 1.00 0.00 C ATOM 265 C GLY A 25 11.166 11.879 3.347 1.00 0.00 C ATOM 266 O GLY A 25 11.399 11.947 2.140 1.00 0.00 O ATOM 0 H GLY A 25 12.852 13.658 5.122 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.253 11.823 3.825 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.253 10.829 4.866 1.00 0.00 H new ATOM 270 N LEU A 26 9.938 11.896 3.854 1.00 0.00 N ATOM 271 CA LEU A 26 8.756 11.996 3.007 1.00 0.00 C ATOM 272 C LEU A 26 7.482 12.024 3.842 1.00 0.00 C ATOM 273 O LEU A 26 6.476 12.596 3.427 1.00 0.00 O ATOM 274 CB LEU A 26 8.698 10.845 2.003 1.00 0.00 C ATOM 275 CG LEU A 26 8.021 11.197 0.677 1.00 0.00 C ATOM 276 CD1 LEU A 26 8.689 12.408 0.043 1.00 0.00 C ATOM 277 CD2 LEU A 26 8.051 10.010 -0.272 1.00 0.00 C ATOM 0 H LEU A 26 9.735 11.842 4.852 1.00 0.00 H new ATOM 0 HA LEU A 26 8.830 12.933 2.456 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.713 10.505 1.800 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.167 10.009 2.458 1.00 0.00 H new ATOM 0 HG LEU A 26 6.979 11.446 0.879 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.195 12.644 -0.899 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.612 13.261 0.717 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.740 12.188 -0.144 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.565 10.281 -1.209 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.085 9.727 -0.468 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.525 9.169 0.180 1.00 0.00 H new ATOM 289 N GLY A 27 7.525 11.412 5.022 1.00 0.00 N ATOM 290 CA GLY A 27 6.360 11.404 5.885 1.00 0.00 C ATOM 291 C GLY A 27 5.705 10.044 6.004 1.00 0.00 C ATOM 292 O GLY A 27 4.484 9.954 6.102 1.00 0.00 O ATOM 0 H GLY A 27 8.341 10.925 5.393 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.651 11.746 6.878 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.630 12.118 5.503 1.00 0.00 H new ATOM 296 N VAL A 28 6.508 8.982 5.999 1.00 0.00 N ATOM 297 CA VAL A 28 5.968 7.628 6.114 1.00 0.00 C ATOM 298 C VAL A 28 7.029 6.640 6.598 1.00 0.00 C ATOM 299 O VAL A 28 8.226 6.863 6.423 1.00 0.00 O ATOM 300 CB VAL A 28 5.418 7.114 4.763 1.00 0.00 C ATOM 301 CG1 VAL A 28 4.423 8.095 4.170 1.00 0.00 C ATOM 302 CG2 VAL A 28 6.552 6.853 3.781 1.00 0.00 C ATOM 0 H VAL A 28 7.524 9.030 5.918 1.00 0.00 H new ATOM 0 HA VAL A 28 5.158 7.688 6.841 1.00 0.00 H new ATOM 0 HB VAL A 28 4.900 6.174 4.952 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.052 7.708 3.221 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.588 8.228 4.858 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.913 9.055 4.005 1.00 0.00 H new ATOM 0 HG21 VAL A 28 6.141 6.492 2.838 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.102 7.778 3.607 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.225 6.102 4.194 1.00 0.00 H new ATOM 312 N SER A 29 6.574 5.527 7.167 1.00 0.00 N ATOM 313 CA SER A 29 7.469 4.480 7.628 1.00 0.00 C ATOM 314 C SER A 29 7.229 3.245 6.776 1.00 0.00 C ATOM 315 O SER A 29 6.082 2.897 6.509 1.00 0.00 O ATOM 316 CB SER A 29 7.229 4.167 9.107 1.00 0.00 C ATOM 317 OG SER A 29 5.986 4.688 9.545 1.00 0.00 O ATOM 0 H SER A 29 5.585 5.330 7.319 1.00 0.00 H new ATOM 0 HA SER A 29 8.503 4.809 7.530 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.249 3.088 9.261 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.035 4.590 9.707 1.00 0.00 H new ATOM 0 HG SER A 29 5.857 4.473 10.492 1.00 0.00 H new ATOM 323 N VAL A 30 8.298 2.601 6.327 1.00 0.00 N ATOM 324 CA VAL A 30 8.163 1.421 5.481 1.00 0.00 C ATOM 325 C VAL A 30 8.816 0.197 6.106 1.00 0.00 C ATOM 326 O VAL A 30 9.861 0.292 6.748 1.00 0.00 O ATOM 327 CB VAL A 30 8.771 1.652 4.082 1.00 0.00 C ATOM 328 CG1 VAL A 30 7.736 2.253 3.144 1.00 0.00 C ATOM 329 CG2 VAL A 30 10.004 2.542 4.166 1.00 0.00 C ATOM 0 H VAL A 30 9.260 2.872 6.531 1.00 0.00 H new ATOM 0 HA VAL A 30 7.093 1.240 5.383 1.00 0.00 H new ATOM 0 HB VAL A 30 9.079 0.687 3.681 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.182 2.409 2.162 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.889 1.573 3.054 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.394 3.208 3.543 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.415 2.690 3.167 1.00 0.00 H new ATOM 0 HG22 VAL A 30 9.728 3.507 4.592 1.00 0.00 H new ATOM 0 HG23 VAL A 30 10.753 2.067 4.799 1.00 0.00 H new ATOM 339 N LYS A 31 8.189 -0.957 5.905 1.00 0.00 N ATOM 340 CA LYS A 31 8.701 -2.212 6.437 1.00 0.00 C ATOM 341 C LYS A 31 8.480 -3.345 5.443 1.00 0.00 C ATOM 342 O LYS A 31 7.376 -3.531 4.929 1.00 0.00 O ATOM 343 CB LYS A 31 8.029 -2.545 7.769 1.00 0.00 C ATOM 344 CG LYS A 31 6.517 -2.669 7.677 1.00 0.00 C ATOM 345 CD LYS A 31 5.965 -3.558 8.779 1.00 0.00 C ATOM 346 CE LYS A 31 6.196 -5.030 8.478 1.00 0.00 C ATOM 347 NZ LYS A 31 7.411 -5.557 9.160 1.00 0.00 N ATOM 0 H LYS A 31 7.322 -1.048 5.375 1.00 0.00 H new ATOM 0 HA LYS A 31 9.772 -2.098 6.605 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.439 -3.481 8.149 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.278 -1.771 8.495 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.065 -1.680 7.745 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.243 -3.079 6.705 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.439 -3.301 9.726 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.897 -3.373 8.896 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.325 -5.605 8.793 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.296 -5.168 7.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.104 -5.863 8.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.829 -4.810 9.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.150 -6.366 9.759 1.00 0.00 H new ATOM 361 N GLY A 32 9.539 -4.096 5.166 1.00 0.00 N ATOM 362 CA GLY A 32 9.436 -5.196 4.227 1.00 0.00 C ATOM 363 C GLY A 32 9.362 -6.549 4.906 1.00 0.00 C ATOM 364 O GLY A 32 9.857 -6.722 6.019 1.00 0.00 O ATOM 0 H GLY A 32 10.465 -3.963 5.574 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.549 -5.057 3.609 1.00 0.00 H new ATOM 0 HA3 GLY A 32 10.297 -5.178 3.558 1.00 0.00 H new ATOM 368 N ASN A 33 8.738 -7.513 4.232 1.00 0.00 N ATOM 369 CA ASN A 33 8.599 -8.860 4.774 1.00 0.00 C ATOM 370 C ASN A 33 9.146 -9.903 3.808 1.00 0.00 C ATOM 371 O ASN A 33 9.546 -9.583 2.690 1.00 0.00 O ATOM 372 CB ASN A 33 7.132 -9.163 5.081 1.00 0.00 C ATOM 373 CG ASN A 33 6.557 -8.229 6.128 1.00 0.00 C ATOM 374 OD1 ASN A 33 5.497 -7.633 5.930 1.00 0.00 O ATOM 375 ND2 ASN A 33 7.252 -8.096 7.250 1.00 0.00 N ATOM 0 H ASN A 33 8.321 -7.385 3.310 1.00 0.00 H new ATOM 0 HA ASN A 33 9.178 -8.907 5.697 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.547 -9.082 4.165 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.041 -10.193 5.427 1.00 0.00 H new ATOM 0 HD21 ASN A 33 6.913 -7.481 7.990 1.00 0.00 H new ATOM 0 HD22 ASN A 33 8.125 -8.608 7.373 1.00 0.00 H new ATOM 382 N ARG A 34 9.156 -11.157 4.250 1.00 0.00 N ATOM 383 CA ARG A 34 9.648 -12.256 3.431 1.00 0.00 C ATOM 384 C ARG A 34 8.571 -13.321 3.253 1.00 0.00 C ATOM 385 O ARG A 34 7.643 -13.419 4.056 1.00 0.00 O ATOM 386 CB ARG A 34 10.894 -12.876 4.065 1.00 0.00 C ATOM 387 CG ARG A 34 12.109 -11.961 4.040 1.00 0.00 C ATOM 388 CD ARG A 34 13.155 -12.393 5.057 1.00 0.00 C ATOM 389 NE ARG A 34 13.606 -11.277 5.884 1.00 0.00 N ATOM 390 CZ ARG A 34 12.918 -10.791 6.913 1.00 0.00 C ATOM 391 NH1 ARG A 34 11.745 -11.318 7.245 1.00 0.00 N ATOM 392 NH2 ARG A 34 13.400 -9.773 7.613 1.00 0.00 N ATOM 0 H ARG A 34 8.827 -11.436 5.174 1.00 0.00 H new ATOM 0 HA ARG A 34 9.909 -11.858 2.450 1.00 0.00 H new ATOM 0 HB2 ARG A 34 10.671 -13.143 5.098 1.00 0.00 H new ATOM 0 HB3 ARG A 34 11.136 -13.801 3.542 1.00 0.00 H new ATOM 0 HG2 ARG A 34 12.547 -11.964 3.042 1.00 0.00 H new ATOM 0 HG3 ARG A 34 11.799 -10.937 4.248 1.00 0.00 H new ATOM 0 HD2 ARG A 34 12.740 -13.173 5.695 1.00 0.00 H new ATOM 0 HD3 ARG A 34 14.009 -12.827 4.537 1.00 0.00 H new ATOM 0 HE ARG A 34 14.502 -10.845 5.659 1.00 0.00 H new ATOM 0 HH11 ARG A 34 11.367 -12.100 6.710 1.00 0.00 H new ATOM 0 HH12 ARG A 34 11.222 -10.941 8.035 1.00 0.00 H new ATOM 0 HH21 ARG A 34 14.299 -9.362 7.362 1.00 0.00 H new ATOM 0 HH22 ARG A 34 12.871 -9.401 8.402 1.00 0.00 H new ATOM 406 N SER A 35 8.701 -14.113 2.195 1.00 0.00 N ATOM 407 CA SER A 35 7.740 -15.172 1.904 1.00 0.00 C ATOM 408 C SER A 35 7.509 -16.061 3.124 1.00 0.00 C ATOM 409 O SER A 35 8.360 -16.150 4.008 1.00 0.00 O ATOM 410 CB SER A 35 8.227 -16.020 0.727 1.00 0.00 C ATOM 411 OG SER A 35 8.521 -15.210 -0.398 1.00 0.00 O ATOM 0 H SER A 35 9.464 -14.042 1.522 1.00 0.00 H new ATOM 0 HA SER A 35 6.793 -14.701 1.641 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.117 -16.578 1.020 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.464 -16.752 0.462 1.00 0.00 H new ATOM 0 HG SER A 35 9.117 -14.480 -0.129 1.00 0.00 H new ATOM 417 N LYS A 36 6.350 -16.712 3.163 1.00 0.00 N ATOM 418 CA LYS A 36 6.004 -17.591 4.274 1.00 0.00 C ATOM 419 C LYS A 36 6.907 -18.820 4.304 1.00 0.00 C ATOM 420 O LYS A 36 7.319 -19.274 5.372 1.00 0.00 O ATOM 421 CB LYS A 36 4.539 -18.022 4.171 1.00 0.00 C ATOM 422 CG LYS A 36 4.019 -18.711 5.422 1.00 0.00 C ATOM 423 CD LYS A 36 3.602 -17.702 6.481 1.00 0.00 C ATOM 424 CE LYS A 36 4.774 -17.292 7.356 1.00 0.00 C ATOM 425 NZ LYS A 36 4.980 -15.818 7.352 1.00 0.00 N ATOM 0 H LYS A 36 5.635 -16.647 2.438 1.00 0.00 H new ATOM 0 HA LYS A 36 6.150 -17.036 5.201 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.924 -17.145 3.967 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.426 -18.695 3.321 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.169 -19.342 5.164 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.791 -19.366 5.826 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.182 -16.820 5.998 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.816 -18.130 7.103 1.00 0.00 H new ATOM 0 HE2 LYS A 36 4.601 -17.632 8.377 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.680 -17.786 7.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.789 -15.579 7.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.170 -15.497 6.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.125 -15.347 7.711 1.00 0.00 H new ATOM 439 N GLU A 37 7.207 -19.355 3.127 1.00 0.00 N ATOM 440 CA GLU A 37 8.059 -20.534 3.019 1.00 0.00 C ATOM 441 C GLU A 37 9.533 -20.151 3.099 1.00 0.00 C ATOM 442 O GLU A 37 10.170 -20.307 4.142 1.00 0.00 O ATOM 443 CB GLU A 37 7.777 -21.275 1.709 1.00 0.00 C ATOM 444 CG GLU A 37 7.203 -22.669 1.911 1.00 0.00 C ATOM 445 CD GLU A 37 8.276 -23.707 2.171 1.00 0.00 C ATOM 446 OE1 GLU A 37 8.931 -23.632 3.232 1.00 0.00 O ATOM 447 OE2 GLU A 37 8.462 -24.595 1.312 1.00 0.00 O ATOM 0 H GLU A 37 6.874 -18.992 2.234 1.00 0.00 H new ATOM 0 HA GLU A 37 7.831 -21.195 3.856 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.080 -20.687 1.111 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.702 -21.351 1.138 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.506 -22.654 2.749 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.632 -22.955 1.027 1.00 0.00 H new ATOM 454 N ASN A 38 10.073 -19.650 1.992 1.00 0.00 N ATOM 455 CA ASN A 38 11.474 -19.247 1.940 1.00 0.00 C ATOM 456 C ASN A 38 11.660 -17.854 2.532 1.00 0.00 C ATOM 457 O ASN A 38 10.715 -17.253 3.042 1.00 0.00 O ATOM 458 CB ASN A 38 11.980 -19.274 0.497 1.00 0.00 C ATOM 459 CG ASN A 38 11.752 -20.616 -0.171 1.00 0.00 C ATOM 460 OD1 ASN A 38 12.258 -21.642 0.283 1.00 0.00 O ATOM 461 ND2 ASN A 38 10.987 -20.614 -1.256 1.00 0.00 N ATOM 0 H ASN A 38 9.562 -19.514 1.120 1.00 0.00 H new ATOM 0 HA ASN A 38 12.054 -19.954 2.533 1.00 0.00 H new ATOM 0 HB2 ASN A 38 11.476 -18.496 -0.076 1.00 0.00 H new ATOM 0 HB3 ASN A 38 13.045 -19.041 0.484 1.00 0.00 H new ATOM 0 HD21 ASN A 38 10.798 -21.487 -1.749 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.588 -19.739 -1.597 1.00 0.00 H new ATOM 468 N HIS A 39 12.886 -17.345 2.459 1.00 0.00 N ATOM 469 CA HIS A 39 13.195 -16.021 2.987 1.00 0.00 C ATOM 470 C HIS A 39 13.195 -14.977 1.875 1.00 0.00 C ATOM 471 O HIS A 39 13.915 -13.982 1.944 1.00 0.00 O ATOM 472 CB HIS A 39 14.554 -16.034 3.689 1.00 0.00 C ATOM 473 CG HIS A 39 14.640 -17.027 4.806 1.00 0.00 C ATOM 474 ND1 HIS A 39 13.856 -16.957 5.938 1.00 0.00 N ATOM 475 CD2 HIS A 39 15.426 -18.120 4.963 1.00 0.00 C ATOM 476 CE1 HIS A 39 14.153 -17.962 6.742 1.00 0.00 C ATOM 477 NE2 HIS A 39 15.102 -18.682 6.173 1.00 0.00 N ATOM 0 H HIS A 39 13.680 -17.829 2.040 1.00 0.00 H new ATOM 0 HA HIS A 39 12.422 -15.756 3.709 1.00 0.00 H new ATOM 0 HB2 HIS A 39 15.330 -16.255 2.956 1.00 0.00 H new ATOM 0 HB3 HIS A 39 14.761 -15.038 4.082 1.00 0.00 H new ATOM 0 HD2 HIS A 39 16.168 -18.481 4.267 1.00 0.00 H new ATOM 0 HE1 HIS A 39 13.697 -18.161 7.701 1.00 0.00 H new ATOM 0 HE2 HIS A 39 15.526 -19.521 6.569 1.00 0.00 H new ATOM 486 N ALA A 40 12.381 -15.211 0.850 1.00 0.00 N ATOM 487 CA ALA A 40 12.288 -14.291 -0.276 1.00 0.00 C ATOM 488 C ALA A 40 11.515 -13.034 0.105 1.00 0.00 C ATOM 489 O ALA A 40 10.324 -13.096 0.417 1.00 0.00 O ATOM 490 CB ALA A 40 11.632 -14.976 -1.466 1.00 0.00 C ATOM 0 H ALA A 40 11.777 -16.030 0.777 1.00 0.00 H new ATOM 0 HA ALA A 40 13.299 -13.994 -0.554 1.00 0.00 H new ATOM 0 HB1 ALA A 40 11.569 -14.276 -2.299 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.227 -15.840 -1.762 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.629 -15.303 -1.190 1.00 0.00 H new ATOM 496 N ASP A 41 12.197 -11.896 0.079 1.00 0.00 N ATOM 497 CA ASP A 41 11.577 -10.622 0.424 1.00 0.00 C ATOM 498 C ASP A 41 10.393 -10.325 -0.493 1.00 0.00 C ATOM 499 O ASP A 41 10.547 -10.219 -1.709 1.00 0.00 O ATOM 500 CB ASP A 41 12.603 -9.492 0.331 1.00 0.00 C ATOM 501 CG ASP A 41 13.411 -9.549 -0.951 1.00 0.00 C ATOM 502 OD1 ASP A 41 12.903 -9.088 -1.995 1.00 0.00 O ATOM 503 OD2 ASP A 41 14.552 -10.054 -0.910 1.00 0.00 O ATOM 0 H ASP A 41 13.182 -11.829 -0.178 1.00 0.00 H new ATOM 0 HA ASP A 41 11.211 -10.690 1.449 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.089 -8.533 0.391 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.278 -9.546 1.185 1.00 0.00 H new ATOM 508 N LEU A 42 9.213 -10.191 0.101 1.00 0.00 N ATOM 509 CA LEU A 42 8.001 -9.902 -0.658 1.00 0.00 C ATOM 510 C LEU A 42 7.967 -8.439 -1.092 1.00 0.00 C ATOM 511 O LEU A 42 7.338 -8.092 -2.091 1.00 0.00 O ATOM 512 CB LEU A 42 6.762 -10.223 0.179 1.00 0.00 C ATOM 513 CG LEU A 42 6.819 -11.547 0.943 1.00 0.00 C ATOM 514 CD1 LEU A 42 5.516 -11.789 1.690 1.00 0.00 C ATOM 515 CD2 LEU A 42 7.114 -12.698 -0.011 1.00 0.00 C ATOM 0 H LEU A 42 9.069 -10.278 1.107 1.00 0.00 H new ATOM 0 HA LEU A 42 8.003 -10.529 -1.550 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.607 -9.415 0.894 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.893 -10.238 -0.478 1.00 0.00 H new ATOM 0 HG LEU A 42 7.626 -11.491 1.674 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.575 -12.735 2.228 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.347 -10.979 2.399 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.691 -11.827 0.979 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.151 -13.633 0.548 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.328 -12.757 -0.764 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.073 -12.529 -0.500 1.00 0.00 H new ATOM 527 N GLY A 43 8.643 -7.587 -0.330 1.00 0.00 N ATOM 528 CA GLY A 43 8.678 -6.172 -0.643 1.00 0.00 C ATOM 529 C GLY A 43 8.415 -5.312 0.575 1.00 0.00 C ATOM 530 O GLY A 43 8.264 -5.829 1.682 1.00 0.00 O ATOM 0 H GLY A 43 9.169 -7.853 0.502 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.652 -5.918 -1.062 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.934 -5.952 -1.409 1.00 0.00 H new ATOM 534 N ILE A 44 8.359 -3.998 0.376 1.00 0.00 N ATOM 535 CA ILE A 44 8.112 -3.070 1.474 1.00 0.00 C ATOM 536 C ILE A 44 6.707 -2.484 1.397 1.00 0.00 C ATOM 537 O ILE A 44 6.252 -2.072 0.330 1.00 0.00 O ATOM 538 CB ILE A 44 9.138 -1.919 1.494 1.00 0.00 C ATOM 539 CG1 ILE A 44 9.409 -1.413 0.073 1.00 0.00 C ATOM 540 CG2 ILE A 44 10.430 -2.369 2.159 1.00 0.00 C ATOM 541 CD1 ILE A 44 10.682 -1.959 -0.538 1.00 0.00 C ATOM 0 H ILE A 44 8.481 -3.553 -0.534 1.00 0.00 H new ATOM 0 HA ILE A 44 8.213 -3.646 2.394 1.00 0.00 H new ATOM 0 HB ILE A 44 8.721 -1.096 2.075 1.00 0.00 H new ATOM 0 HG12 ILE A 44 8.567 -1.681 -0.565 1.00 0.00 H new ATOM 0 HG13 ILE A 44 9.463 -0.324 0.089 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.143 -1.544 2.164 1.00 0.00 H new ATOM 0 HG22 ILE A 44 10.224 -2.677 3.184 1.00 0.00 H new ATOM 0 HG23 ILE A 44 10.851 -3.209 1.606 1.00 0.00 H new ATOM 0 HD11 ILE A 44 10.805 -1.556 -1.543 1.00 0.00 H new ATOM 0 HD12 ILE A 44 11.534 -1.669 0.076 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.624 -3.046 -0.588 1.00 0.00 H new ATOM 553 N PHE A 45 6.024 -2.455 2.537 1.00 0.00 N ATOM 554 CA PHE A 45 4.666 -1.925 2.607 1.00 0.00 C ATOM 555 C PHE A 45 4.612 -0.713 3.525 1.00 0.00 C ATOM 556 O PHE A 45 5.312 -0.657 4.538 1.00 0.00 O ATOM 557 CB PHE A 45 3.693 -3.002 3.102 1.00 0.00 C ATOM 558 CG PHE A 45 4.115 -4.407 2.766 1.00 0.00 C ATOM 559 CD1 PHE A 45 4.663 -4.705 1.529 1.00 0.00 C ATOM 560 CD2 PHE A 45 3.969 -5.426 3.694 1.00 0.00 C ATOM 561 CE1 PHE A 45 5.057 -5.993 1.223 1.00 0.00 C ATOM 562 CE2 PHE A 45 4.360 -6.717 3.392 1.00 0.00 C ATOM 563 CZ PHE A 45 4.906 -7.001 2.155 1.00 0.00 C ATOM 0 H PHE A 45 6.390 -2.793 3.427 1.00 0.00 H new ATOM 0 HA PHE A 45 4.369 -1.618 1.604 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.588 -2.914 4.183 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.710 -2.815 2.670 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.783 -3.921 0.796 1.00 0.00 H new ATOM 0 HD2 PHE A 45 3.545 -5.209 4.663 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.483 -6.212 0.255 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.239 -7.503 4.123 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.214 -8.009 1.917 1.00 0.00 H new ATOM 573 N VAL A 46 3.780 0.258 3.166 1.00 0.00 N ATOM 574 CA VAL A 46 3.637 1.472 3.959 1.00 0.00 C ATOM 575 C VAL A 46 3.293 1.140 5.406 1.00 0.00 C ATOM 576 O VAL A 46 2.174 0.742 5.717 1.00 0.00 O ATOM 577 CB VAL A 46 2.564 2.410 3.379 1.00 0.00 C ATOM 578 CG1 VAL A 46 2.577 3.751 4.099 1.00 0.00 C ATOM 579 CG2 VAL A 46 2.772 2.601 1.884 1.00 0.00 C ATOM 0 H VAL A 46 3.195 0.228 2.331 1.00 0.00 H new ATOM 0 HA VAL A 46 4.598 1.986 3.926 1.00 0.00 H new ATOM 0 HB VAL A 46 1.588 1.950 3.533 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.811 4.400 3.674 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.375 3.597 5.159 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.555 4.218 3.980 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.004 3.267 1.492 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.755 3.037 1.706 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.706 1.636 1.381 1.00 0.00 H new ATOM 589 N LYS A 47 4.277 1.308 6.281 1.00 0.00 N ATOM 590 CA LYS A 47 4.111 1.038 7.704 1.00 0.00 C ATOM 591 C LYS A 47 3.123 2.012 8.322 1.00 0.00 C ATOM 592 O LYS A 47 2.164 1.615 8.984 1.00 0.00 O ATOM 593 CB LYS A 47 5.458 1.166 8.416 1.00 0.00 C ATOM 594 CG LYS A 47 5.627 0.230 9.595 1.00 0.00 C ATOM 595 CD LYS A 47 4.828 0.692 10.804 1.00 0.00 C ATOM 596 CE LYS A 47 4.213 -0.483 11.547 1.00 0.00 C ATOM 597 NZ LYS A 47 2.789 -0.695 11.169 1.00 0.00 N ATOM 0 H LYS A 47 5.209 1.634 6.026 1.00 0.00 H new ATOM 0 HA LYS A 47 3.727 0.024 7.819 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.256 0.976 7.698 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.578 2.193 8.761 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.309 -0.773 9.311 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.682 0.166 9.860 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.477 1.251 11.478 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.040 1.373 10.482 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.784 -1.387 11.333 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.282 -0.309 12.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.178 -0.471 11.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.546 -0.075 10.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.647 -1.688 10.893 1.00 0.00 H new ATOM 611 N SER A 48 3.377 3.291 8.102 1.00 0.00 N ATOM 612 CA SER A 48 2.528 4.349 8.634 1.00 0.00 C ATOM 613 C SER A 48 2.900 5.688 8.016 1.00 0.00 C ATOM 614 O SER A 48 4.079 6.029 7.915 1.00 0.00 O ATOM 615 CB SER A 48 2.655 4.421 10.157 1.00 0.00 C ATOM 616 OG SER A 48 1.477 4.946 10.744 1.00 0.00 O ATOM 0 H SER A 48 4.170 3.626 7.555 1.00 0.00 H new ATOM 0 HA SER A 48 1.493 4.120 8.379 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.851 3.426 10.556 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.507 5.045 10.425 1.00 0.00 H new ATOM 0 HG SER A 48 1.584 4.980 11.718 1.00 0.00 H new ATOM 622 N ILE A 49 1.893 6.439 7.591 1.00 0.00 N ATOM 623 CA ILE A 49 2.127 7.734 6.969 1.00 0.00 C ATOM 624 C ILE A 49 2.024 8.872 7.975 1.00 0.00 C ATOM 625 O ILE A 49 0.960 9.128 8.538 1.00 0.00 O ATOM 626 CB ILE A 49 1.130 7.986 5.823 1.00 0.00 C ATOM 627 CG1 ILE A 49 1.197 6.850 4.805 1.00 0.00 C ATOM 628 CG2 ILE A 49 1.401 9.325 5.147 1.00 0.00 C ATOM 629 CD1 ILE A 49 0.085 6.900 3.783 1.00 0.00 C ATOM 0 H ILE A 49 0.911 6.175 7.665 1.00 0.00 H new ATOM 0 HA ILE A 49 3.141 7.709 6.571 1.00 0.00 H new ATOM 0 HB ILE A 49 0.126 8.020 6.246 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.157 6.888 4.290 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.155 5.896 5.331 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.683 9.478 4.341 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.303 10.128 5.878 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.411 9.328 4.738 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.190 6.066 3.089 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.878 6.832 4.289 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.139 7.839 3.232 1.00 0.00 H new ATOM 641 N ILE A 50 3.138 9.566 8.176 1.00 0.00 N ATOM 642 CA ILE A 50 3.182 10.695 9.091 1.00 0.00 C ATOM 643 C ILE A 50 2.163 11.751 8.674 1.00 0.00 C ATOM 644 O ILE A 50 2.274 12.334 7.595 1.00 0.00 O ATOM 645 CB ILE A 50 4.593 11.326 9.128 1.00 0.00 C ATOM 646 CG1 ILE A 50 5.579 10.384 9.820 1.00 0.00 C ATOM 647 CG2 ILE A 50 4.566 12.678 9.833 1.00 0.00 C ATOM 648 CD1 ILE A 50 6.563 9.727 8.877 1.00 0.00 C ATOM 0 H ILE A 50 4.025 9.364 7.715 1.00 0.00 H new ATOM 0 HA ILE A 50 2.939 10.328 10.088 1.00 0.00 H new ATOM 0 HB ILE A 50 4.922 11.485 8.101 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.132 10.943 10.575 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.019 9.609 10.344 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.570 13.102 9.846 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.895 13.352 9.301 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.214 12.548 10.856 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.228 9.074 9.442 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.020 9.139 8.137 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.150 10.494 8.372 1.00 0.00 H new ATOM 660 N ASN A 51 1.176 11.987 9.527 1.00 0.00 N ATOM 661 CA ASN A 51 0.141 12.971 9.236 1.00 0.00 C ATOM 662 C ASN A 51 0.720 14.382 9.249 1.00 0.00 C ATOM 663 O ASN A 51 0.436 15.177 10.145 1.00 0.00 O ATOM 664 CB ASN A 51 -1.003 12.865 10.251 1.00 0.00 C ATOM 665 CG ASN A 51 -1.338 11.429 10.604 1.00 0.00 C ATOM 666 OD1 ASN A 51 -2.158 10.790 9.944 1.00 0.00 O ATOM 667 ND2 ASN A 51 -0.705 10.914 11.651 1.00 0.00 N ATOM 0 H ASN A 51 1.070 11.513 10.424 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.252 12.764 8.241 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -0.730 13.404 11.158 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.890 13.352 9.846 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -0.891 9.953 11.937 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -0.033 11.480 12.170 1.00 0.00 H new ATOM 674 N GLY A 52 1.539 14.680 8.248 1.00 0.00 N ATOM 675 CA GLY A 52 2.154 15.988 8.153 1.00 0.00 C ATOM 676 C GLY A 52 3.259 16.032 7.117 1.00 0.00 C ATOM 677 O GLY A 52 3.516 17.076 6.519 1.00 0.00 O ATOM 0 H GLY A 52 1.788 14.035 7.498 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.393 16.727 7.901 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.560 16.267 9.125 1.00 0.00 H new ATOM 681 N GLY A 53 3.919 14.895 6.905 1.00 0.00 N ATOM 682 CA GLY A 53 4.994 14.839 5.937 1.00 0.00 C ATOM 683 C GLY A 53 4.511 15.002 4.508 1.00 0.00 C ATOM 684 O GLY A 53 3.343 15.309 4.266 1.00 0.00 O ATOM 0 H GLY A 53 3.727 14.016 7.386 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.719 15.621 6.161 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.513 13.886 6.033 1.00 0.00 H new ATOM 688 N ALA A 54 5.421 14.803 3.564 1.00 0.00 N ATOM 689 CA ALA A 54 5.115 14.934 2.144 1.00 0.00 C ATOM 690 C ALA A 54 4.076 13.922 1.677 1.00 0.00 C ATOM 691 O ALA A 54 3.196 14.248 0.880 1.00 0.00 O ATOM 692 CB ALA A 54 6.388 14.774 1.331 1.00 0.00 C ATOM 0 H ALA A 54 6.389 14.547 3.759 1.00 0.00 H new ATOM 0 HA ALA A 54 4.692 15.927 1.992 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.157 14.872 0.270 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.103 15.544 1.620 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.819 13.790 1.519 1.00 0.00 H new ATOM 698 N ALA A 55 4.190 12.692 2.159 1.00 0.00 N ATOM 699 CA ALA A 55 3.263 11.635 1.768 1.00 0.00 C ATOM 700 C ALA A 55 1.849 11.931 2.237 1.00 0.00 C ATOM 701 O ALA A 55 0.893 11.830 1.468 1.00 0.00 O ATOM 702 CB ALA A 55 3.725 10.297 2.310 1.00 0.00 C ATOM 0 H ALA A 55 4.911 12.401 2.819 1.00 0.00 H new ATOM 0 HA ALA A 55 3.252 11.592 0.679 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.022 9.520 2.009 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.714 10.065 1.913 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.772 10.342 3.398 1.00 0.00 H new ATOM 708 N SER A 56 1.720 12.301 3.502 1.00 0.00 N ATOM 709 CA SER A 56 0.417 12.615 4.068 1.00 0.00 C ATOM 710 C SER A 56 -0.181 13.824 3.364 1.00 0.00 C ATOM 711 O SER A 56 -1.399 13.950 3.236 1.00 0.00 O ATOM 712 CB SER A 56 0.537 12.888 5.566 1.00 0.00 C ATOM 713 OG SER A 56 -0.611 13.560 6.058 1.00 0.00 O ATOM 0 H SER A 56 2.499 12.391 4.154 1.00 0.00 H new ATOM 0 HA SER A 56 -0.240 11.758 3.922 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.668 11.947 6.101 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.425 13.490 5.759 1.00 0.00 H new ATOM 0 HG SER A 56 -0.346 14.423 6.441 1.00 0.00 H new ATOM 719 N LYS A 57 0.694 14.715 2.903 1.00 0.00 N ATOM 720 CA LYS A 57 0.275 15.919 2.205 1.00 0.00 C ATOM 721 C LYS A 57 -0.140 15.605 0.772 1.00 0.00 C ATOM 722 O LYS A 57 -0.981 16.291 0.191 1.00 0.00 O ATOM 723 CB LYS A 57 1.400 16.933 2.218 1.00 0.00 C ATOM 724 CG LYS A 57 1.560 17.586 3.572 1.00 0.00 C ATOM 725 CD LYS A 57 2.732 18.530 3.584 1.00 0.00 C ATOM 726 CE LYS A 57 2.308 19.928 3.167 1.00 0.00 C ATOM 727 NZ LYS A 57 3.360 20.940 3.461 1.00 0.00 N ATOM 0 H LYS A 57 1.705 14.620 3.004 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.591 16.335 2.720 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.333 16.443 1.940 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.206 17.699 1.467 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.650 18.129 3.827 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.699 16.820 4.335 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.169 18.561 4.582 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.506 18.164 2.909 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.085 19.936 2.100 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.389 20.199 3.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.031 21.880 3.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.555 20.951 4.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.230 20.697 2.945 1.00 0.00 H new ATOM 741 N ASP A 58 0.458 14.559 0.209 1.00 0.00 N ATOM 742 CA ASP A 58 0.156 14.144 -1.155 1.00 0.00 C ATOM 743 C ASP A 58 -1.331 13.838 -1.314 1.00 0.00 C ATOM 744 O ASP A 58 -1.896 13.998 -2.395 1.00 0.00 O ATOM 745 CB ASP A 58 0.987 12.913 -1.526 1.00 0.00 C ATOM 746 CG ASP A 58 1.702 13.079 -2.851 1.00 0.00 C ATOM 747 OD1 ASP A 58 1.967 14.235 -3.243 1.00 0.00 O ATOM 748 OD2 ASP A 58 1.996 12.052 -3.497 1.00 0.00 O ATOM 0 H ASP A 58 1.156 13.983 0.679 1.00 0.00 H new ATOM 0 HA ASP A 58 0.411 14.964 -1.826 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.720 12.722 -0.742 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.337 12.040 -1.574 1.00 0.00 H new ATOM 753 N GLY A 59 -1.958 13.403 -0.227 1.00 0.00 N ATOM 754 CA GLY A 59 -3.374 13.086 -0.262 1.00 0.00 C ATOM 755 C GLY A 59 -3.693 11.866 -1.107 1.00 0.00 C ATOM 756 O GLY A 59 -4.846 11.650 -1.478 1.00 0.00 O ATOM 0 H GLY A 59 -1.511 13.264 0.679 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.727 12.918 0.755 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.922 13.944 -0.652 1.00 0.00 H new ATOM 760 N ARG A 60 -2.677 11.063 -1.413 1.00 0.00 N ATOM 761 CA ARG A 60 -2.873 9.861 -2.216 1.00 0.00 C ATOM 762 C ARG A 60 -2.065 8.689 -1.665 1.00 0.00 C ATOM 763 O ARG A 60 -1.928 7.654 -2.319 1.00 0.00 O ATOM 764 CB ARG A 60 -2.483 10.125 -3.670 1.00 0.00 C ATOM 765 CG ARG A 60 -1.025 10.514 -3.845 1.00 0.00 C ATOM 766 CD ARG A 60 -0.839 11.461 -5.019 1.00 0.00 C ATOM 767 NE ARG A 60 -0.531 12.819 -4.577 1.00 0.00 N ATOM 768 CZ ARG A 60 -0.110 13.785 -5.390 1.00 0.00 C ATOM 769 NH1 ARG A 60 0.030 13.555 -6.690 1.00 0.00 N ATOM 770 NH2 ARG A 60 0.167 14.987 -4.902 1.00 0.00 N ATOM 0 H ARG A 60 -1.714 11.223 -1.118 1.00 0.00 H new ATOM 0 HA ARG A 60 -3.930 9.598 -2.170 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.686 9.231 -4.260 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -3.113 10.920 -4.068 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.662 10.987 -2.933 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.424 9.618 -4.000 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.035 11.095 -5.657 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.746 11.472 -5.624 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.645 13.040 -3.588 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.186 12.634 -7.071 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.353 14.300 -7.308 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.057 15.170 -3.905 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.490 15.728 -5.524 1.00 0.00 H new ATOM 784 N LEU A 61 -1.529 8.858 -0.460 1.00 0.00 N ATOM 785 CA LEU A 61 -0.735 7.815 0.177 1.00 0.00 C ATOM 786 C LEU A 61 -1.516 7.161 1.313 1.00 0.00 C ATOM 787 O LEU A 61 -2.138 7.844 2.127 1.00 0.00 O ATOM 788 CB LEU A 61 0.572 8.406 0.712 1.00 0.00 C ATOM 789 CG LEU A 61 1.824 8.009 -0.074 1.00 0.00 C ATOM 790 CD1 LEU A 61 2.577 9.244 -0.554 1.00 0.00 C ATOM 791 CD2 LEU A 61 2.728 7.122 0.771 1.00 0.00 C ATOM 0 H LEU A 61 -1.631 9.708 0.094 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.505 7.052 -0.567 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.490 9.493 0.713 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.697 8.095 1.749 1.00 0.00 H new ATOM 0 HG LEU A 61 1.510 7.442 -0.951 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.463 8.937 -1.110 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.930 9.836 -1.201 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.878 9.844 0.305 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.613 6.850 0.195 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.031 7.661 1.669 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.189 6.219 1.055 1.00 0.00 H new ATOM 803 N ARG A 62 -1.475 5.834 1.365 1.00 0.00 N ATOM 804 CA ARG A 62 -2.176 5.089 2.406 1.00 0.00 C ATOM 805 C ARG A 62 -1.323 3.932 2.913 1.00 0.00 C ATOM 806 O ARG A 62 -0.585 3.309 2.151 1.00 0.00 O ATOM 807 CB ARG A 62 -3.512 4.564 1.882 1.00 0.00 C ATOM 808 CG ARG A 62 -3.436 4.021 0.470 1.00 0.00 C ATOM 809 CD ARG A 62 -4.089 4.965 -0.528 1.00 0.00 C ATOM 810 NE ARG A 62 -3.712 4.651 -1.901 1.00 0.00 N ATOM 811 CZ ARG A 62 -4.252 3.662 -2.608 1.00 0.00 C ATOM 812 NH1 ARG A 62 -5.203 2.901 -2.083 1.00 0.00 N ATOM 813 NH2 ARG A 62 -3.841 3.436 -3.848 1.00 0.00 N ATOM 0 H ARG A 62 -0.965 5.253 0.700 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.366 5.769 3.237 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.870 3.778 2.546 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.247 5.368 1.915 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -2.393 3.865 0.195 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.926 3.048 0.427 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.173 4.907 -0.427 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.802 5.991 -0.298 1.00 0.00 H new ATOM 0 HE ARG A 62 -2.993 5.222 -2.345 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.525 3.072 -1.131 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.612 2.145 -2.632 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.112 4.020 -4.258 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.254 2.678 -4.392 1.00 0.00 H new ATOM 827 N VAL A 63 -1.429 3.654 4.206 1.00 0.00 N ATOM 828 CA VAL A 63 -0.669 2.576 4.825 1.00 0.00 C ATOM 829 C VAL A 63 -1.037 1.224 4.216 1.00 0.00 C ATOM 830 O VAL A 63 -2.173 1.017 3.790 1.00 0.00 O ATOM 831 CB VAL A 63 -0.905 2.542 6.349 1.00 0.00 C ATOM 832 CG1 VAL A 63 -0.050 1.474 7.014 1.00 0.00 C ATOM 833 CG2 VAL A 63 -0.616 3.907 6.953 1.00 0.00 C ATOM 0 H VAL A 63 -2.036 4.162 4.849 1.00 0.00 H new ATOM 0 HA VAL A 63 0.387 2.769 4.635 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.951 2.290 6.526 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.238 1.474 8.088 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.302 0.497 6.601 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.004 1.685 6.830 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.786 3.872 8.029 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.421 4.179 6.758 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.276 4.650 6.506 1.00 0.00 H new ATOM 843 N ASN A 64 -0.061 0.309 4.178 1.00 0.00 N ATOM 844 CA ASN A 64 -0.257 -1.037 3.625 1.00 0.00 C ATOM 845 C ASN A 64 0.015 -1.068 2.121 1.00 0.00 C ATOM 846 O ASN A 64 0.095 -2.141 1.522 1.00 0.00 O ATOM 847 CB ASN A 64 -1.667 -1.565 3.913 1.00 0.00 C ATOM 848 CG ASN A 64 -2.103 -1.305 5.343 1.00 0.00 C ATOM 849 OD1 ASN A 64 -1.445 -1.728 6.293 1.00 0.00 O ATOM 850 ND2 ASN A 64 -3.221 -0.605 5.501 1.00 0.00 N ATOM 0 H ASN A 64 0.882 0.479 4.528 1.00 0.00 H new ATOM 0 HA ASN A 64 0.462 -1.689 4.121 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.374 -1.095 3.230 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.698 -2.637 3.716 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -3.565 -0.399 6.439 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.735 -0.274 4.685 1.00 0.00 H new ATOM 857 N ASP A 65 0.164 0.106 1.512 1.00 0.00 N ATOM 858 CA ASP A 65 0.434 0.190 0.083 1.00 0.00 C ATOM 859 C ASP A 65 1.811 -0.386 -0.239 1.00 0.00 C ATOM 860 O ASP A 65 2.834 0.150 0.189 1.00 0.00 O ATOM 861 CB ASP A 65 0.347 1.642 -0.394 1.00 0.00 C ATOM 862 CG ASP A 65 -0.967 1.944 -1.089 1.00 0.00 C ATOM 863 OD1 ASP A 65 -1.986 1.315 -0.733 1.00 0.00 O ATOM 864 OD2 ASP A 65 -0.976 2.809 -1.990 1.00 0.00 O ATOM 0 H ASP A 65 0.102 1.007 1.985 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.320 -0.397 -0.441 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.466 2.310 0.459 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.172 1.848 -1.077 1.00 0.00 H new ATOM 869 N GLN A 66 1.830 -1.480 -0.992 1.00 0.00 N ATOM 870 CA GLN A 66 3.080 -2.126 -1.369 1.00 0.00 C ATOM 871 C GLN A 66 3.861 -1.258 -2.347 1.00 0.00 C ATOM 872 O GLN A 66 3.290 -0.703 -3.282 1.00 0.00 O ATOM 873 CB GLN A 66 2.792 -3.492 -1.993 1.00 0.00 C ATOM 874 CG GLN A 66 3.998 -4.416 -2.032 1.00 0.00 C ATOM 875 CD GLN A 66 4.972 -4.054 -3.136 1.00 0.00 C ATOM 876 OE1 GLN A 66 4.635 -3.316 -4.061 1.00 0.00 O ATOM 877 NE2 GLN A 66 6.189 -4.576 -3.042 1.00 0.00 N ATOM 0 H GLN A 66 0.993 -1.938 -1.353 1.00 0.00 H new ATOM 0 HA GLN A 66 3.685 -2.262 -0.472 1.00 0.00 H new ATOM 0 HB2 GLN A 66 1.993 -3.976 -1.431 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.425 -3.347 -3.009 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.512 -4.378 -1.072 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.660 -5.443 -2.172 1.00 0.00 H new ATOM 0 HE21 GLN A 66 6.424 -5.183 -2.257 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.889 -4.370 -3.755 1.00 0.00 H new ATOM 886 N LEU A 67 5.167 -1.136 -2.125 1.00 0.00 N ATOM 887 CA LEU A 67 6.015 -0.326 -2.996 1.00 0.00 C ATOM 888 C LEU A 67 6.535 -1.144 -4.173 1.00 0.00 C ATOM 889 O LEU A 67 6.907 -2.307 -4.018 1.00 0.00 O ATOM 890 CB LEU A 67 7.193 0.250 -2.211 1.00 0.00 C ATOM 891 CG LEU A 67 6.818 1.230 -1.099 1.00 0.00 C ATOM 892 CD1 LEU A 67 8.041 1.582 -0.264 1.00 0.00 C ATOM 893 CD2 LEU A 67 6.192 2.483 -1.688 1.00 0.00 C ATOM 0 H LEU A 67 5.660 -1.585 -1.353 1.00 0.00 H new ATOM 0 HA LEU A 67 5.407 0.492 -3.383 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.754 -0.575 -1.772 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.861 0.755 -2.908 1.00 0.00 H new ATOM 0 HG LEU A 67 6.086 0.753 -0.448 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.756 2.280 0.523 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.448 0.676 0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.796 2.042 -0.901 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.930 3.171 -0.884 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.903 2.963 -2.360 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.293 2.214 -2.243 1.00 0.00 H new ATOM 905 N ILE A 68 6.565 -0.525 -5.348 1.00 0.00 N ATOM 906 CA ILE A 68 7.049 -1.192 -6.550 1.00 0.00 C ATOM 907 C ILE A 68 8.208 -0.423 -7.168 1.00 0.00 C ATOM 908 O ILE A 68 9.212 -1.011 -7.571 1.00 0.00 O ATOM 909 CB ILE A 68 5.939 -1.344 -7.609 1.00 0.00 C ATOM 910 CG1 ILE A 68 4.629 -1.805 -6.966 1.00 0.00 C ATOM 911 CG2 ILE A 68 6.374 -2.322 -8.691 1.00 0.00 C ATOM 912 CD1 ILE A 68 3.418 -1.065 -7.485 1.00 0.00 C ATOM 0 H ILE A 68 6.260 0.437 -5.493 1.00 0.00 H new ATOM 0 HA ILE A 68 7.382 -2.183 -6.242 1.00 0.00 H new ATOM 0 HB ILE A 68 5.766 -0.370 -8.066 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.499 -2.872 -7.146 1.00 0.00 H new ATOM 0 HG13 ILE A 68 4.694 -1.670 -5.886 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.581 -2.420 -9.433 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.279 -1.952 -9.174 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.574 -3.295 -8.243 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.523 -1.439 -6.989 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.527 0.000 -7.281 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.329 -1.221 -8.560 1.00 0.00 H new ATOM 924 N ALA A 69 8.061 0.895 -7.246 1.00 0.00 N ATOM 925 CA ALA A 69 9.097 1.743 -7.823 1.00 0.00 C ATOM 926 C ALA A 69 9.138 3.115 -7.158 1.00 0.00 C ATOM 927 O ALA A 69 8.106 3.662 -6.769 1.00 0.00 O ATOM 928 CB ALA A 69 8.879 1.889 -9.321 1.00 0.00 C ATOM 0 H ALA A 69 7.237 1.398 -6.918 1.00 0.00 H new ATOM 0 HA ALA A 69 10.059 1.262 -7.645 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.658 2.524 -9.742 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.918 0.907 -9.792 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.904 2.341 -9.504 1.00 0.00 H new ATOM 934 N VAL A 70 10.341 3.667 -7.043 1.00 0.00 N ATOM 935 CA VAL A 70 10.534 4.982 -6.439 1.00 0.00 C ATOM 936 C VAL A 70 11.443 5.839 -7.315 1.00 0.00 C ATOM 937 O VAL A 70 12.516 5.399 -7.727 1.00 0.00 O ATOM 938 CB VAL A 70 11.144 4.873 -5.025 1.00 0.00 C ATOM 939 CG1 VAL A 70 12.481 4.149 -5.071 1.00 0.00 C ATOM 940 CG2 VAL A 70 11.296 6.251 -4.394 1.00 0.00 C ATOM 0 H VAL A 70 11.202 3.222 -7.362 1.00 0.00 H new ATOM 0 HA VAL A 70 9.553 5.450 -6.357 1.00 0.00 H new ATOM 0 HB VAL A 70 10.463 4.290 -4.404 1.00 0.00 H new ATOM 0 HG11 VAL A 70 12.894 4.083 -4.064 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.338 3.145 -5.471 1.00 0.00 H new ATOM 0 HG13 VAL A 70 13.171 4.699 -5.711 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.728 6.150 -3.398 1.00 0.00 H new ATOM 0 HG22 VAL A 70 11.951 6.864 -5.013 1.00 0.00 H new ATOM 0 HG23 VAL A 70 10.318 6.727 -4.319 1.00 0.00 H new ATOM 950 N ASN A 71 11.005 7.059 -7.603 1.00 0.00 N ATOM 951 CA ASN A 71 11.781 7.970 -8.439 1.00 0.00 C ATOM 952 C ASN A 71 11.986 7.385 -9.833 1.00 0.00 C ATOM 953 O ASN A 71 12.967 7.696 -10.509 1.00 0.00 O ATOM 954 CB ASN A 71 13.138 8.256 -7.797 1.00 0.00 C ATOM 955 CG ASN A 71 13.069 9.363 -6.766 1.00 0.00 C ATOM 956 OD1 ASN A 71 13.225 10.541 -7.089 1.00 0.00 O ATOM 957 ND2 ASN A 71 12.834 8.989 -5.514 1.00 0.00 N ATOM 0 H ASN A 71 10.119 7.440 -7.271 1.00 0.00 H new ATOM 0 HA ASN A 71 11.223 8.902 -8.529 1.00 0.00 H new ATOM 0 HB2 ASN A 71 13.512 7.347 -7.325 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.853 8.530 -8.573 1.00 0.00 H new ATOM 0 HD21 ASN A 71 12.776 9.689 -4.775 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.711 8.001 -5.291 1.00 0.00 H new ATOM 964 N GLY A 72 11.059 6.531 -10.256 1.00 0.00 N ATOM 965 CA GLY A 72 11.163 5.911 -11.564 1.00 0.00 C ATOM 966 C GLY A 72 12.105 4.725 -11.567 1.00 0.00 C ATOM 967 O GLY A 72 12.648 4.357 -12.610 1.00 0.00 O ATOM 0 H GLY A 72 10.238 6.257 -9.716 1.00 0.00 H new ATOM 0 HA2 GLY A 72 10.174 5.587 -11.889 1.00 0.00 H new ATOM 0 HA3 GLY A 72 11.510 6.649 -12.287 1.00 0.00 H new ATOM 971 N GLU A 73 12.303 4.124 -10.398 1.00 0.00 N ATOM 972 CA GLU A 73 13.189 2.973 -10.269 1.00 0.00 C ATOM 973 C GLU A 73 12.513 1.852 -9.485 1.00 0.00 C ATOM 974 O GLU A 73 12.323 1.956 -8.273 1.00 0.00 O ATOM 975 CB GLU A 73 14.493 3.378 -9.577 1.00 0.00 C ATOM 976 CG GLU A 73 15.028 4.728 -10.024 1.00 0.00 C ATOM 977 CD GLU A 73 16.502 4.685 -10.378 1.00 0.00 C ATOM 978 OE1 GLU A 73 17.319 4.389 -9.482 1.00 0.00 O ATOM 979 OE2 GLU A 73 16.839 4.948 -11.552 1.00 0.00 O ATOM 0 H GLU A 73 11.861 4.415 -9.526 1.00 0.00 H new ATOM 0 HA GLU A 73 13.416 2.608 -11.271 1.00 0.00 H new ATOM 0 HB2 GLU A 73 14.330 3.400 -8.499 1.00 0.00 H new ATOM 0 HB3 GLU A 73 15.248 2.616 -9.770 1.00 0.00 H new ATOM 0 HG2 GLU A 73 14.461 5.071 -10.889 1.00 0.00 H new ATOM 0 HG3 GLU A 73 14.870 5.458 -9.230 1.00 0.00 H new ATOM 986 N SER A 74 12.154 0.780 -10.183 1.00 0.00 N ATOM 987 CA SER A 74 11.502 -0.361 -9.551 1.00 0.00 C ATOM 988 C SER A 74 12.387 -0.950 -8.456 1.00 0.00 C ATOM 989 O SER A 74 13.607 -0.807 -8.488 1.00 0.00 O ATOM 990 CB SER A 74 11.177 -1.431 -10.592 1.00 0.00 C ATOM 991 OG SER A 74 10.087 -2.235 -10.175 1.00 0.00 O ATOM 0 H SER A 74 12.304 0.677 -11.187 1.00 0.00 H new ATOM 0 HA SER A 74 10.573 -0.014 -9.098 1.00 0.00 H new ATOM 0 HB2 SER A 74 10.939 -0.956 -11.544 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.053 -2.058 -10.759 1.00 0.00 H new ATOM 0 HG SER A 74 9.751 -1.909 -9.314 1.00 0.00 H new ATOM 997 N LEU A 75 11.760 -1.609 -7.486 1.00 0.00 N ATOM 998 CA LEU A 75 12.494 -2.213 -6.379 1.00 0.00 C ATOM 999 C LEU A 75 12.356 -3.735 -6.377 1.00 0.00 C ATOM 1000 O LEU A 75 13.117 -4.432 -5.706 1.00 0.00 O ATOM 1001 CB LEU A 75 12.004 -1.650 -5.046 1.00 0.00 C ATOM 1002 CG LEU A 75 11.739 -0.143 -5.028 1.00 0.00 C ATOM 1003 CD1 LEU A 75 10.521 0.173 -4.172 1.00 0.00 C ATOM 1004 CD2 LEU A 75 12.961 0.604 -4.517 1.00 0.00 C ATOM 0 H LEU A 75 10.749 -1.738 -7.444 1.00 0.00 H new ATOM 0 HA LEU A 75 13.548 -1.967 -6.512 1.00 0.00 H new ATOM 0 HB2 LEU A 75 11.085 -2.167 -4.768 1.00 0.00 H new ATOM 0 HB3 LEU A 75 12.744 -1.881 -4.279 1.00 0.00 H new ATOM 0 HG LEU A 75 11.536 0.186 -6.047 1.00 0.00 H new ATOM 0 HD11 LEU A 75 10.347 1.249 -4.170 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.648 -0.335 -4.580 1.00 0.00 H new ATOM 0 HD13 LEU A 75 10.695 -0.168 -3.151 1.00 0.00 H new ATOM 0 HD21 LEU A 75 12.756 1.675 -4.510 1.00 0.00 H new ATOM 0 HD22 LEU A 75 13.193 0.273 -3.505 1.00 0.00 H new ATOM 0 HD23 LEU A 75 13.811 0.401 -5.169 1.00 0.00 H new ATOM 1016 N LEU A 76 11.382 -4.249 -7.125 1.00 0.00 N ATOM 1017 CA LEU A 76 11.147 -5.690 -7.201 1.00 0.00 C ATOM 1018 C LEU A 76 12.451 -6.450 -7.418 1.00 0.00 C ATOM 1019 O LEU A 76 12.700 -7.475 -6.782 1.00 0.00 O ATOM 1020 CB LEU A 76 10.166 -6.007 -8.331 1.00 0.00 C ATOM 1021 CG LEU A 76 8.690 -5.978 -7.935 1.00 0.00 C ATOM 1022 CD1 LEU A 76 8.355 -7.157 -7.035 1.00 0.00 C ATOM 1023 CD2 LEU A 76 8.345 -4.666 -7.249 1.00 0.00 C ATOM 0 H LEU A 76 10.742 -3.689 -7.688 1.00 0.00 H new ATOM 0 HA LEU A 76 10.718 -6.011 -6.252 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.324 -5.293 -9.139 1.00 0.00 H new ATOM 0 HB3 LEU A 76 10.400 -6.995 -8.728 1.00 0.00 H new ATOM 0 HG LEU A 76 8.090 -6.057 -8.842 1.00 0.00 H new ATOM 0 HD11 LEU A 76 7.300 -7.119 -6.764 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.561 -8.088 -7.563 1.00 0.00 H new ATOM 0 HD13 LEU A 76 8.964 -7.110 -6.132 1.00 0.00 H new ATOM 0 HD21 LEU A 76 7.290 -4.665 -6.975 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.953 -4.554 -6.351 1.00 0.00 H new ATOM 0 HD23 LEU A 76 8.544 -3.837 -7.928 1.00 0.00 H new ATOM 1035 N GLY A 77 13.278 -5.941 -8.322 1.00 0.00 N ATOM 1036 CA GLY A 77 14.548 -6.582 -8.614 1.00 0.00 C ATOM 1037 C GLY A 77 15.424 -6.726 -7.384 1.00 0.00 C ATOM 1038 O GLY A 77 16.146 -7.713 -7.241 1.00 0.00 O ATOM 0 H GLY A 77 13.093 -5.094 -8.860 1.00 0.00 H new ATOM 0 HA2 GLY A 77 14.364 -7.567 -9.042 1.00 0.00 H new ATOM 0 HA3 GLY A 77 15.079 -6.001 -9.368 1.00 0.00 H new ATOM 1042 N LYS A 78 15.363 -5.740 -6.494 1.00 0.00 N ATOM 1043 CA LYS A 78 16.158 -5.763 -5.270 1.00 0.00 C ATOM 1044 C LYS A 78 15.320 -6.184 -4.076 1.00 0.00 C ATOM 1045 O LYS A 78 14.092 -6.261 -4.151 1.00 0.00 O ATOM 1046 CB LYS A 78 16.786 -4.392 -5.015 1.00 0.00 C ATOM 1047 CG LYS A 78 15.770 -3.288 -4.775 1.00 0.00 C ATOM 1048 CD LYS A 78 16.449 -1.940 -4.594 1.00 0.00 C ATOM 1049 CE LYS A 78 17.281 -1.565 -5.811 1.00 0.00 C ATOM 1050 NZ LYS A 78 18.742 -1.602 -5.519 1.00 0.00 N ATOM 0 H LYS A 78 14.772 -4.915 -6.597 1.00 0.00 H new ATOM 0 HA LYS A 78 16.952 -6.498 -5.403 1.00 0.00 H new ATOM 0 HB2 LYS A 78 17.446 -4.460 -4.150 1.00 0.00 H new ATOM 0 HB3 LYS A 78 17.407 -4.122 -5.869 1.00 0.00 H new ATOM 0 HG2 LYS A 78 15.078 -3.239 -5.616 1.00 0.00 H new ATOM 0 HG3 LYS A 78 15.179 -3.521 -3.889 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.695 -1.173 -4.417 1.00 0.00 H new ATOM 0 HD3 LYS A 78 17.087 -1.969 -3.711 1.00 0.00 H new ATOM 0 HE2 LYS A 78 17.057 -2.250 -6.629 1.00 0.00 H new ATOM 0 HE3 LYS A 78 17.003 -0.566 -6.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 19.194 -0.745 -5.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 18.889 -1.645 -4.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 19.164 -2.442 -5.965 1.00 0.00 H new ATOM 1064 N ALA A 79 16.001 -6.470 -2.978 1.00 0.00 N ATOM 1065 CA ALA A 79 15.349 -6.902 -1.753 1.00 0.00 C ATOM 1066 C ALA A 79 14.591 -5.757 -1.088 1.00 0.00 C ATOM 1067 O ALA A 79 14.652 -4.613 -1.539 1.00 0.00 O ATOM 1068 CB ALA A 79 16.386 -7.486 -0.814 1.00 0.00 C ATOM 0 H ALA A 79 17.017 -6.410 -2.911 1.00 0.00 H new ATOM 0 HA ALA A 79 14.614 -7.668 -1.999 1.00 0.00 H new ATOM 0 HB1 ALA A 79 15.901 -7.811 0.106 1.00 0.00 H new ATOM 0 HB2 ALA A 79 16.869 -8.339 -1.291 1.00 0.00 H new ATOM 0 HB3 ALA A 79 17.134 -6.728 -0.582 1.00 0.00 H new ATOM 1074 N ASN A 80 13.869 -6.075 -0.016 1.00 0.00 N ATOM 1075 CA ASN A 80 13.090 -5.073 0.707 1.00 0.00 C ATOM 1076 C ASN A 80 13.990 -4.052 1.395 1.00 0.00 C ATOM 1077 O ASN A 80 13.814 -2.848 1.221 1.00 0.00 O ATOM 1078 CB ASN A 80 12.167 -5.734 1.735 1.00 0.00 C ATOM 1079 CG ASN A 80 12.839 -6.856 2.502 1.00 0.00 C ATOM 1080 OD1 ASN A 80 13.982 -6.732 2.939 1.00 0.00 O ATOM 1081 ND2 ASN A 80 12.127 -7.964 2.671 1.00 0.00 N ATOM 0 H ASN A 80 13.807 -7.017 0.371 1.00 0.00 H new ATOM 0 HA ASN A 80 12.480 -4.548 -0.028 1.00 0.00 H new ATOM 0 HB2 ASN A 80 11.817 -4.979 2.439 1.00 0.00 H new ATOM 0 HB3 ASN A 80 11.287 -6.126 1.225 1.00 0.00 H new ATOM 0 HD21 ASN A 80 12.525 -8.753 3.180 1.00 0.00 H new ATOM 0 HD22 ASN A 80 11.182 -8.026 2.292 1.00 0.00 H new ATOM 1088 N GLN A 81 14.953 -4.533 2.178 1.00 0.00 N ATOM 1089 CA GLN A 81 15.869 -3.641 2.884 1.00 0.00 C ATOM 1090 C GLN A 81 16.609 -2.745 1.896 1.00 0.00 C ATOM 1091 O GLN A 81 16.778 -1.547 2.131 1.00 0.00 O ATOM 1092 CB GLN A 81 16.853 -4.450 3.743 1.00 0.00 C ATOM 1093 CG GLN A 81 18.091 -4.929 3.002 1.00 0.00 C ATOM 1094 CD GLN A 81 17.808 -6.100 2.082 1.00 0.00 C ATOM 1095 OE1 GLN A 81 16.862 -6.858 2.297 1.00 0.00 O ATOM 1096 NE2 GLN A 81 18.633 -6.255 1.053 1.00 0.00 N ATOM 0 H GLN A 81 15.119 -5.527 2.339 1.00 0.00 H new ATOM 0 HA GLN A 81 15.289 -3.001 3.549 1.00 0.00 H new ATOM 0 HB2 GLN A 81 17.166 -3.838 4.589 1.00 0.00 H new ATOM 0 HB3 GLN A 81 16.332 -5.316 4.152 1.00 0.00 H new ATOM 0 HG2 GLN A 81 18.501 -4.105 2.418 1.00 0.00 H new ATOM 0 HG3 GLN A 81 18.853 -5.217 3.726 1.00 0.00 H new ATOM 0 HE21 GLN A 81 19.404 -5.602 0.915 1.00 0.00 H new ATOM 0 HE22 GLN A 81 18.496 -7.027 0.401 1.00 0.00 H new ATOM 1105 N GLU A 82 17.024 -3.331 0.778 1.00 0.00 N ATOM 1106 CA GLU A 82 17.719 -2.587 -0.261 1.00 0.00 C ATOM 1107 C GLU A 82 16.741 -1.648 -0.943 1.00 0.00 C ATOM 1108 O GLU A 82 17.078 -0.516 -1.290 1.00 0.00 O ATOM 1109 CB GLU A 82 18.336 -3.544 -1.284 1.00 0.00 C ATOM 1110 CG GLU A 82 19.850 -3.447 -1.368 1.00 0.00 C ATOM 1111 CD GLU A 82 20.326 -2.057 -1.741 1.00 0.00 C ATOM 1112 OE1 GLU A 82 20.182 -1.677 -2.922 1.00 0.00 O ATOM 1113 OE2 GLU A 82 20.844 -1.349 -0.852 1.00 0.00 O ATOM 0 H GLU A 82 16.890 -4.321 0.570 1.00 0.00 H new ATOM 0 HA GLU A 82 18.524 -2.007 0.191 1.00 0.00 H new ATOM 0 HB2 GLU A 82 18.059 -4.566 -1.027 1.00 0.00 H new ATOM 0 HB3 GLU A 82 17.911 -3.336 -2.266 1.00 0.00 H new ATOM 0 HG2 GLU A 82 20.282 -3.729 -0.408 1.00 0.00 H new ATOM 0 HG3 GLU A 82 20.216 -4.162 -2.105 1.00 0.00 H new ATOM 1120 N ALA A 83 15.518 -2.135 -1.116 1.00 0.00 N ATOM 1121 CA ALA A 83 14.467 -1.356 -1.739 1.00 0.00 C ATOM 1122 C ALA A 83 14.091 -0.177 -0.854 1.00 0.00 C ATOM 1123 O ALA A 83 13.749 0.900 -1.342 1.00 0.00 O ATOM 1124 CB ALA A 83 13.254 -2.230 -2.007 1.00 0.00 C ATOM 0 H ALA A 83 15.234 -3.072 -0.830 1.00 0.00 H new ATOM 0 HA ALA A 83 14.832 -0.971 -2.691 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.472 -1.633 -2.475 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.534 -3.047 -2.672 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.885 -2.638 -1.066 1.00 0.00 H new ATOM 1130 N MET A 84 14.175 -0.390 0.454 1.00 0.00 N ATOM 1131 CA MET A 84 13.863 0.649 1.420 1.00 0.00 C ATOM 1132 C MET A 84 14.964 1.699 1.428 1.00 0.00 C ATOM 1133 O MET A 84 14.707 2.881 1.643 1.00 0.00 O ATOM 1134 CB MET A 84 13.694 0.051 2.811 1.00 0.00 C ATOM 1135 CG MET A 84 12.637 0.758 3.645 1.00 0.00 C ATOM 1136 SD MET A 84 11.426 -0.368 4.367 1.00 0.00 S ATOM 1137 CE MET A 84 12.442 -1.801 4.714 1.00 0.00 C ATOM 0 H MET A 84 14.458 -1.278 0.868 1.00 0.00 H new ATOM 0 HA MET A 84 12.924 1.123 1.133 1.00 0.00 H new ATOM 0 HB2 MET A 84 13.428 -1.002 2.716 1.00 0.00 H new ATOM 0 HB3 MET A 84 14.649 0.093 3.335 1.00 0.00 H new ATOM 0 HG2 MET A 84 13.127 1.314 4.444 1.00 0.00 H new ATOM 0 HG3 MET A 84 12.119 1.486 3.021 1.00 0.00 H new ATOM 0 HE1 MET A 84 11.941 -2.433 5.447 1.00 0.00 H new ATOM 0 HE2 MET A 84 12.600 -2.366 3.795 1.00 0.00 H new ATOM 0 HE3 MET A 84 13.404 -1.477 5.111 1.00 0.00 H new ATOM 1147 N GLU A 85 16.187 1.253 1.171 1.00 0.00 N ATOM 1148 CA GLU A 85 17.334 2.146 1.122 1.00 0.00 C ATOM 1149 C GLU A 85 17.346 2.881 -0.213 1.00 0.00 C ATOM 1150 O GLU A 85 17.724 4.050 -0.293 1.00 0.00 O ATOM 1151 CB GLU A 85 18.632 1.348 1.307 1.00 0.00 C ATOM 1152 CG GLU A 85 19.892 2.092 0.888 1.00 0.00 C ATOM 1153 CD GLU A 85 20.344 3.103 1.925 1.00 0.00 C ATOM 1154 OE1 GLU A 85 20.597 2.697 3.077 1.00 0.00 O ATOM 1155 OE2 GLU A 85 20.443 4.300 1.581 1.00 0.00 O ATOM 0 H GLU A 85 16.409 0.274 0.993 1.00 0.00 H new ATOM 0 HA GLU A 85 17.261 2.875 1.929 1.00 0.00 H new ATOM 0 HB2 GLU A 85 18.724 1.065 2.355 1.00 0.00 H new ATOM 0 HB3 GLU A 85 18.562 0.425 0.732 1.00 0.00 H new ATOM 0 HG2 GLU A 85 20.693 1.373 0.713 1.00 0.00 H new ATOM 0 HG3 GLU A 85 19.710 2.603 -0.057 1.00 0.00 H new ATOM 1162 N THR A 86 16.920 2.179 -1.257 1.00 0.00 N ATOM 1163 CA THR A 86 16.867 2.747 -2.594 1.00 0.00 C ATOM 1164 C THR A 86 15.811 3.846 -2.661 1.00 0.00 C ATOM 1165 O THR A 86 15.995 4.855 -3.336 1.00 0.00 O ATOM 1166 CB THR A 86 16.572 1.642 -3.619 1.00 0.00 C ATOM 1167 OG1 THR A 86 17.762 0.958 -3.968 1.00 0.00 O ATOM 1168 CG2 THR A 86 15.941 2.141 -4.904 1.00 0.00 C ATOM 0 H THR A 86 16.605 1.210 -1.200 1.00 0.00 H new ATOM 0 HA THR A 86 17.833 3.191 -2.832 1.00 0.00 H new ATOM 0 HB THR A 86 15.857 0.985 -3.124 1.00 0.00 H new ATOM 0 HG1 THR A 86 17.965 0.285 -3.285 1.00 0.00 H new ATOM 0 HG21 THR A 86 15.765 1.299 -5.574 1.00 0.00 H new ATOM 0 HG22 THR A 86 14.993 2.629 -4.678 1.00 0.00 H new ATOM 0 HG23 THR A 86 16.611 2.854 -5.385 1.00 0.00 H new ATOM 1176 N LEU A 87 14.714 3.658 -1.937 1.00 0.00 N ATOM 1177 CA LEU A 87 13.657 4.656 -1.903 1.00 0.00 C ATOM 1178 C LEU A 87 14.066 5.785 -0.974 1.00 0.00 C ATOM 1179 O LEU A 87 13.743 6.950 -1.200 1.00 0.00 O ATOM 1180 CB LEU A 87 12.324 4.040 -1.463 1.00 0.00 C ATOM 1181 CG LEU A 87 12.330 3.343 -0.104 1.00 0.00 C ATOM 1182 CD1 LEU A 87 12.230 4.361 1.023 1.00 0.00 C ATOM 1183 CD2 LEU A 87 11.183 2.345 -0.023 1.00 0.00 C ATOM 0 H LEU A 87 14.536 2.829 -1.370 1.00 0.00 H new ATOM 0 HA LEU A 87 13.511 5.052 -2.908 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.571 4.827 -1.443 1.00 0.00 H new ATOM 0 HB3 LEU A 87 12.012 3.319 -2.219 1.00 0.00 H new ATOM 0 HG LEU A 87 13.272 2.805 0.006 1.00 0.00 H new ATOM 0 HD11 LEU A 87 12.236 3.844 1.982 1.00 0.00 H new ATOM 0 HD12 LEU A 87 13.079 5.043 0.973 1.00 0.00 H new ATOM 0 HD13 LEU A 87 11.304 4.926 0.921 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.196 1.854 0.950 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.236 2.868 -0.152 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.295 1.598 -0.809 1.00 0.00 H new ATOM 1195 N ARG A 88 14.797 5.418 0.072 1.00 0.00 N ATOM 1196 CA ARG A 88 15.287 6.369 1.054 1.00 0.00 C ATOM 1197 C ARG A 88 16.251 7.364 0.411 1.00 0.00 C ATOM 1198 O ARG A 88 16.101 8.576 0.563 1.00 0.00 O ATOM 1199 CB ARG A 88 15.992 5.621 2.185 1.00 0.00 C ATOM 1200 CG ARG A 88 15.404 5.897 3.559 1.00 0.00 C ATOM 1201 CD ARG A 88 16.388 5.553 4.666 1.00 0.00 C ATOM 1202 NE ARG A 88 16.582 6.666 5.592 1.00 0.00 N ATOM 1203 CZ ARG A 88 17.627 6.777 6.410 1.00 0.00 C ATOM 1204 NH1 ARG A 88 18.571 5.845 6.422 1.00 0.00 N ATOM 1205 NH2 ARG A 88 17.726 7.823 7.219 1.00 0.00 N ATOM 0 H ARG A 88 15.065 4.452 0.260 1.00 0.00 H new ATOM 0 HA ARG A 88 14.438 6.923 1.455 1.00 0.00 H new ATOM 0 HB2 ARG A 88 15.943 4.550 1.987 1.00 0.00 H new ATOM 0 HB3 ARG A 88 17.047 5.896 2.189 1.00 0.00 H new ATOM 0 HG2 ARG A 88 15.126 6.948 3.632 1.00 0.00 H new ATOM 0 HG3 ARG A 88 14.491 5.316 3.689 1.00 0.00 H new ATOM 0 HD2 ARG A 88 16.026 4.684 5.215 1.00 0.00 H new ATOM 0 HD3 ARG A 88 17.346 5.276 4.226 1.00 0.00 H new ATOM 0 HE ARG A 88 15.876 7.401 5.613 1.00 0.00 H new ATOM 0 HH11 ARG A 88 18.499 5.038 5.802 1.00 0.00 H new ATOM 0 HH12 ARG A 88 19.369 5.936 7.051 1.00 0.00 H new ATOM 0 HH21 ARG A 88 17.002 8.542 7.214 1.00 0.00 H new ATOM 0 HH22 ARG A 88 18.526 7.909 7.846 1.00 0.00 H new ATOM 1219 N ARG A 89 17.239 6.843 -0.310 1.00 0.00 N ATOM 1220 CA ARG A 89 18.217 7.689 -0.975 1.00 0.00 C ATOM 1221 C ARG A 89 17.582 8.374 -2.183 1.00 0.00 C ATOM 1222 O ARG A 89 17.905 9.515 -2.505 1.00 0.00 O ATOM 1223 CB ARG A 89 19.450 6.857 -1.372 1.00 0.00 C ATOM 1224 CG ARG A 89 19.575 6.562 -2.858 1.00 0.00 C ATOM 1225 CD ARG A 89 18.620 5.462 -3.272 1.00 0.00 C ATOM 1226 NE ARG A 89 19.269 4.448 -4.092 1.00 0.00 N ATOM 1227 CZ ARG A 89 20.288 3.693 -3.680 1.00 0.00 C ATOM 1228 NH1 ARG A 89 20.768 3.824 -2.450 1.00 0.00 N ATOM 1229 NH2 ARG A 89 20.823 2.799 -4.501 1.00 0.00 N ATOM 0 H ARG A 89 17.381 5.842 -0.447 1.00 0.00 H new ATOM 0 HA ARG A 89 18.550 8.469 -0.290 1.00 0.00 H new ATOM 0 HB2 ARG A 89 20.346 7.385 -1.045 1.00 0.00 H new ATOM 0 HB3 ARG A 89 19.421 5.912 -0.830 1.00 0.00 H new ATOM 0 HG2 ARG A 89 19.366 7.465 -3.431 1.00 0.00 H new ATOM 0 HG3 ARG A 89 20.598 6.267 -3.090 1.00 0.00 H new ATOM 0 HD2 ARG A 89 18.201 4.993 -2.382 1.00 0.00 H new ATOM 0 HD3 ARG A 89 17.787 5.896 -3.826 1.00 0.00 H new ATOM 0 HE ARG A 89 18.922 4.307 -5.041 1.00 0.00 H new ATOM 0 HH11 ARG A 89 20.357 4.506 -1.812 1.00 0.00 H new ATOM 0 HH12 ARG A 89 21.548 3.243 -2.142 1.00 0.00 H new ATOM 0 HH21 ARG A 89 20.455 2.690 -5.446 1.00 0.00 H new ATOM 0 HH22 ARG A 89 21.603 2.221 -4.187 1.00 0.00 H new ATOM 1243 N SER A 90 16.671 7.664 -2.841 1.00 0.00 N ATOM 1244 CA SER A 90 15.983 8.195 -4.011 1.00 0.00 C ATOM 1245 C SER A 90 14.980 9.269 -3.607 1.00 0.00 C ATOM 1246 O SER A 90 14.727 10.207 -4.358 1.00 0.00 O ATOM 1247 CB SER A 90 15.268 7.072 -4.764 1.00 0.00 C ATOM 1248 OG SER A 90 16.198 6.207 -5.391 1.00 0.00 O ATOM 0 H SER A 90 16.392 6.718 -2.583 1.00 0.00 H new ATOM 0 HA SER A 90 16.728 8.644 -4.667 1.00 0.00 H new ATOM 0 HB2 SER A 90 14.647 6.503 -4.072 1.00 0.00 H new ATOM 0 HB3 SER A 90 14.601 7.499 -5.513 1.00 0.00 H new ATOM 0 HG SER A 90 16.110 5.306 -5.017 1.00 0.00 H new ATOM 1254 N MET A 91 14.410 9.122 -2.417 1.00 0.00 N ATOM 1255 CA MET A 91 13.428 10.079 -1.916 1.00 0.00 C ATOM 1256 C MET A 91 14.096 11.232 -1.170 1.00 0.00 C ATOM 1257 O MET A 91 13.485 12.281 -0.962 1.00 0.00 O ATOM 1258 CB MET A 91 12.427 9.376 -0.998 1.00 0.00 C ATOM 1259 CG MET A 91 12.979 9.044 0.382 1.00 0.00 C ATOM 1260 SD MET A 91 11.959 7.859 1.281 1.00 0.00 S ATOM 1261 CE MET A 91 10.340 8.220 0.609 1.00 0.00 C ATOM 0 H MET A 91 14.610 8.350 -1.781 1.00 0.00 H new ATOM 0 HA MET A 91 12.903 10.494 -2.776 1.00 0.00 H new ATOM 0 HB2 MET A 91 11.548 10.010 -0.883 1.00 0.00 H new ATOM 0 HB3 MET A 91 12.096 8.455 -1.477 1.00 0.00 H new ATOM 0 HG2 MET A 91 13.987 8.642 0.277 1.00 0.00 H new ATOM 0 HG3 MET A 91 13.061 9.961 0.965 1.00 0.00 H new ATOM 0 HE1 MET A 91 9.577 7.976 1.348 1.00 0.00 H new ATOM 0 HE2 MET A 91 10.278 9.279 0.359 1.00 0.00 H new ATOM 0 HE3 MET A 91 10.178 7.625 -0.290 1.00 0.00 H new ATOM 1271 N SER A 92 15.341 11.030 -0.750 1.00 0.00 N ATOM 1272 CA SER A 92 16.066 12.056 -0.009 1.00 0.00 C ATOM 1273 C SER A 92 17.305 12.544 -0.759 1.00 0.00 C ATOM 1274 O SER A 92 18.197 13.142 -0.157 1.00 0.00 O ATOM 1275 CB SER A 92 16.478 11.514 1.362 1.00 0.00 C ATOM 1276 OG SER A 92 16.168 12.437 2.392 1.00 0.00 O ATOM 0 H SER A 92 15.866 10.170 -0.909 1.00 0.00 H new ATOM 0 HA SER A 92 15.395 12.906 0.110 1.00 0.00 H new ATOM 0 HB2 SER A 92 15.968 10.569 1.551 1.00 0.00 H new ATOM 0 HB3 SER A 92 17.548 11.305 1.367 1.00 0.00 H new ATOM 0 HG SER A 92 16.440 12.065 3.257 1.00 0.00 H new ATOM 1282 N THR A 93 17.370 12.294 -2.064 1.00 0.00 N ATOM 1283 CA THR A 93 18.524 12.728 -2.845 1.00 0.00 C ATOM 1284 C THR A 93 18.180 12.958 -4.317 1.00 0.00 C ATOM 1285 O THR A 93 18.699 13.881 -4.939 1.00 0.00 O ATOM 1286 CB THR A 93 19.663 11.706 -2.702 1.00 0.00 C ATOM 1287 OG1 THR A 93 20.869 12.353 -2.336 1.00 0.00 O ATOM 1288 CG2 THR A 93 19.944 10.898 -3.953 1.00 0.00 C ATOM 0 H THR A 93 16.651 11.802 -2.595 1.00 0.00 H new ATOM 0 HA THR A 93 18.849 13.690 -2.449 1.00 0.00 H new ATOM 0 HB THR A 93 19.317 11.018 -1.930 1.00 0.00 H new ATOM 0 HG1 THR A 93 21.583 11.688 -2.248 1.00 0.00 H new ATOM 0 HG21 THR A 93 20.762 10.203 -3.761 1.00 0.00 H new ATOM 0 HG22 THR A 93 19.051 10.339 -4.234 1.00 0.00 H new ATOM 0 HG23 THR A 93 20.222 11.570 -4.765 1.00 0.00 H new ATOM 1296 N GLU A 94 17.322 12.113 -4.877 1.00 0.00 N ATOM 1297 CA GLU A 94 16.946 12.235 -6.283 1.00 0.00 C ATOM 1298 C GLU A 94 15.554 12.831 -6.445 1.00 0.00 C ATOM 1299 O GLU A 94 15.323 13.676 -7.309 1.00 0.00 O ATOM 1300 CB GLU A 94 17.013 10.870 -6.963 1.00 0.00 C ATOM 1301 CG GLU A 94 18.271 10.098 -6.620 1.00 0.00 C ATOM 1302 CD GLU A 94 18.644 9.084 -7.683 1.00 0.00 C ATOM 1303 OE1 GLU A 94 17.881 8.114 -7.874 1.00 0.00 O ATOM 1304 OE2 GLU A 94 19.703 9.258 -8.326 1.00 0.00 O ATOM 0 H GLU A 94 16.875 11.340 -4.384 1.00 0.00 H new ATOM 0 HA GLU A 94 17.655 12.913 -6.758 1.00 0.00 H new ATOM 0 HB2 GLU A 94 16.142 10.282 -6.672 1.00 0.00 H new ATOM 0 HB3 GLU A 94 16.960 11.005 -8.043 1.00 0.00 H new ATOM 0 HG2 GLU A 94 19.096 10.797 -6.486 1.00 0.00 H new ATOM 0 HG3 GLU A 94 18.130 9.585 -5.669 1.00 0.00 H new ATOM 1311 N GLY A 95 14.633 12.385 -5.607 1.00 0.00 N ATOM 1312 CA GLY A 95 13.272 12.881 -5.665 1.00 0.00 C ATOM 1313 C GLY A 95 13.183 14.327 -5.237 1.00 0.00 C ATOM 1314 O GLY A 95 12.425 15.111 -5.810 1.00 0.00 O ATOM 0 H GLY A 95 14.803 11.686 -4.884 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.891 12.779 -6.681 1.00 0.00 H new ATOM 0 HA3 GLY A 95 12.636 12.272 -5.023 1.00 0.00 H new ATOM 1318 N ASN A 96 13.971 14.680 -4.233 1.00 0.00 N ATOM 1319 CA ASN A 96 13.998 16.039 -3.724 1.00 0.00 C ATOM 1320 C ASN A 96 14.582 16.984 -4.773 1.00 0.00 C ATOM 1321 O ASN A 96 14.173 18.142 -4.871 1.00 0.00 O ATOM 1322 CB ASN A 96 14.812 16.093 -2.424 1.00 0.00 C ATOM 1323 CG ASN A 96 15.331 17.480 -2.107 1.00 0.00 C ATOM 1324 OD1 ASN A 96 16.447 17.643 -1.614 1.00 0.00 O ATOM 1325 ND2 ASN A 96 14.518 18.490 -2.388 1.00 0.00 N ATOM 0 H ASN A 96 14.603 14.039 -3.754 1.00 0.00 H new ATOM 0 HA ASN A 96 12.979 16.361 -3.507 1.00 0.00 H new ATOM 0 HB2 ASN A 96 14.191 15.746 -1.598 1.00 0.00 H new ATOM 0 HB3 ASN A 96 15.654 15.405 -2.500 1.00 0.00 H new ATOM 0 HD21 ASN A 96 14.810 19.448 -2.196 1.00 0.00 H new ATOM 0 HD22 ASN A 96 13.601 18.308 -2.796 1.00 0.00 H new ATOM 1332 N LYS A 97 15.536 16.475 -5.553 1.00 0.00 N ATOM 1333 CA LYS A 97 16.191 17.258 -6.611 1.00 0.00 C ATOM 1334 C LYS A 97 15.242 18.290 -7.210 1.00 0.00 C ATOM 1335 O LYS A 97 15.564 19.476 -7.294 1.00 0.00 O ATOM 1336 CB LYS A 97 16.695 16.336 -7.727 1.00 0.00 C ATOM 1337 CG LYS A 97 17.594 15.209 -7.247 1.00 0.00 C ATOM 1338 CD LYS A 97 19.000 15.699 -6.943 1.00 0.00 C ATOM 1339 CE LYS A 97 19.648 16.330 -8.165 1.00 0.00 C ATOM 1340 NZ LYS A 97 21.064 15.898 -8.325 1.00 0.00 N ATOM 0 H LYS A 97 15.877 15.517 -5.474 1.00 0.00 H new ATOM 0 HA LYS A 97 17.033 17.779 -6.154 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.836 15.906 -8.243 1.00 0.00 H new ATOM 0 HB3 LYS A 97 17.240 16.934 -8.458 1.00 0.00 H new ATOM 0 HG2 LYS A 97 17.165 14.758 -6.352 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.637 14.430 -8.008 1.00 0.00 H new ATOM 0 HD2 LYS A 97 18.965 16.427 -6.132 1.00 0.00 H new ATOM 0 HD3 LYS A 97 19.610 14.865 -6.597 1.00 0.00 H new ATOM 0 HE2 LYS A 97 19.082 16.060 -9.057 1.00 0.00 H new ATOM 0 HE3 LYS A 97 19.607 17.416 -8.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 21.471 16.349 -9.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 21.609 16.178 -7.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 21.101 14.864 -8.433 1.00 0.00 H new ATOM 1354 N ARG A 98 14.070 17.824 -7.617 1.00 0.00 N ATOM 1355 CA ARG A 98 13.060 18.692 -8.204 1.00 0.00 C ATOM 1356 C ARG A 98 12.080 19.178 -7.140 1.00 0.00 C ATOM 1357 O ARG A 98 11.492 20.251 -7.267 1.00 0.00 O ATOM 1358 CB ARG A 98 12.307 17.953 -9.310 1.00 0.00 C ATOM 1359 CG ARG A 98 11.765 16.607 -8.870 1.00 0.00 C ATOM 1360 CD ARG A 98 12.526 15.453 -9.509 1.00 0.00 C ATOM 1361 NE ARG A 98 11.672 14.656 -10.388 1.00 0.00 N ATOM 1362 CZ ARG A 98 12.120 13.668 -11.159 1.00 0.00 C ATOM 1363 NH1 ARG A 98 13.409 13.353 -11.165 1.00 0.00 N ATOM 1364 NH2 ARG A 98 11.277 12.991 -11.925 1.00 0.00 N ATOM 0 H ARG A 98 13.794 16.844 -7.551 1.00 0.00 H new ATOM 0 HA ARG A 98 13.562 19.559 -8.633 1.00 0.00 H new ATOM 0 HB2 ARG A 98 11.481 18.574 -9.655 1.00 0.00 H new ATOM 0 HB3 ARG A 98 12.974 17.808 -10.160 1.00 0.00 H new ATOM 0 HG2 ARG A 98 11.828 16.527 -7.785 1.00 0.00 H new ATOM 0 HG3 ARG A 98 10.710 16.537 -9.134 1.00 0.00 H new ATOM 0 HD2 ARG A 98 13.368 15.845 -10.079 1.00 0.00 H new ATOM 0 HD3 ARG A 98 12.939 14.815 -8.728 1.00 0.00 H new ATOM 0 HE ARG A 98 10.675 14.870 -10.412 1.00 0.00 H new ATOM 0 HH11 ARG A 98 14.063 13.869 -10.576 1.00 0.00 H new ATOM 0 HH12 ARG A 98 13.746 12.595 -11.758 1.00 0.00 H new ATOM 0 HH21 ARG A 98 10.285 13.227 -11.924 1.00 0.00 H new ATOM 0 HH22 ARG A 98 11.620 12.234 -12.516 1.00 0.00 H new ATOM 1378 N GLY A 99 11.912 18.378 -6.090 1.00 0.00 N ATOM 1379 CA GLY A 99 11.006 18.742 -5.018 1.00 0.00 C ATOM 1380 C GLY A 99 9.930 17.700 -4.778 1.00 0.00 C ATOM 1381 O GLY A 99 9.071 17.879 -3.915 1.00 0.00 O ATOM 0 H GLY A 99 12.388 17.485 -5.964 1.00 0.00 H new ATOM 0 HA2 GLY A 99 11.576 18.887 -4.100 1.00 0.00 H new ATOM 0 HA3 GLY A 99 10.535 19.696 -5.255 1.00 0.00 H new ATOM 1385 N MET A 100 9.968 16.609 -5.542 1.00 0.00 N ATOM 1386 CA MET A 100 8.983 15.547 -5.403 1.00 0.00 C ATOM 1387 C MET A 100 9.472 14.249 -6.037 1.00 0.00 C ATOM 1388 O MET A 100 10.126 14.259 -7.080 1.00 0.00 O ATOM 1389 CB MET A 100 7.668 15.969 -6.049 1.00 0.00 C ATOM 1390 CG MET A 100 7.766 16.134 -7.557 1.00 0.00 C ATOM 1391 SD MET A 100 6.648 15.049 -8.460 1.00 0.00 S ATOM 1392 CE MET A 100 7.617 13.544 -8.523 1.00 0.00 C ATOM 0 H MET A 100 10.671 16.441 -6.262 1.00 0.00 H new ATOM 0 HA MET A 100 8.829 15.370 -4.339 1.00 0.00 H new ATOM 0 HB2 MET A 100 6.904 15.226 -5.820 1.00 0.00 H new ATOM 0 HB3 MET A 100 7.340 16.910 -5.608 1.00 0.00 H new ATOM 0 HG2 MET A 100 7.548 17.169 -7.818 1.00 0.00 H new ATOM 0 HG3 MET A 100 8.790 15.935 -7.873 1.00 0.00 H new ATOM 0 HE1 MET A 100 7.152 12.840 -9.213 1.00 0.00 H new ATOM 0 HE2 MET A 100 8.626 13.775 -8.865 1.00 0.00 H new ATOM 0 HE3 MET A 100 7.664 13.100 -7.529 1.00 0.00 H new ATOM 1402 N ILE A 101 9.148 13.134 -5.392 1.00 0.00 N ATOM 1403 CA ILE A 101 9.544 11.821 -5.873 1.00 0.00 C ATOM 1404 C ILE A 101 8.322 10.997 -6.272 1.00 0.00 C ATOM 1405 O ILE A 101 7.311 10.998 -5.572 1.00 0.00 O ATOM 1406 CB ILE A 101 10.365 11.061 -4.800 1.00 0.00 C ATOM 1407 CG1 ILE A 101 9.731 9.705 -4.461 1.00 0.00 C ATOM 1408 CG2 ILE A 101 10.518 11.903 -3.539 1.00 0.00 C ATOM 1409 CD1 ILE A 101 10.449 8.960 -3.361 1.00 0.00 C ATOM 0 H ILE A 101 8.607 13.117 -4.527 1.00 0.00 H new ATOM 0 HA ILE A 101 10.171 11.967 -6.753 1.00 0.00 H new ATOM 0 HB ILE A 101 11.354 10.874 -5.218 1.00 0.00 H new ATOM 0 HG12 ILE A 101 8.694 9.862 -4.165 1.00 0.00 H new ATOM 0 HG13 ILE A 101 9.716 9.086 -5.358 1.00 0.00 H new ATOM 0 HG21 ILE A 101 11.097 11.350 -2.800 1.00 0.00 H new ATOM 0 HG22 ILE A 101 11.033 12.832 -3.782 1.00 0.00 H new ATOM 0 HG23 ILE A 101 9.533 12.130 -3.132 1.00 0.00 H new ATOM 0 HD11 ILE A 101 9.945 8.011 -3.175 1.00 0.00 H new ATOM 0 HD12 ILE A 101 11.479 8.771 -3.662 1.00 0.00 H new ATOM 0 HD13 ILE A 101 10.441 9.559 -2.451 1.00 0.00 H new ATOM 1421 N GLN A 102 8.424 10.279 -7.385 1.00 0.00 N ATOM 1422 CA GLN A 102 7.320 9.444 -7.841 1.00 0.00 C ATOM 1423 C GLN A 102 7.258 8.173 -6.997 1.00 0.00 C ATOM 1424 O GLN A 102 8.281 7.709 -6.493 1.00 0.00 O ATOM 1425 CB GLN A 102 7.472 9.103 -9.330 1.00 0.00 C ATOM 1426 CG GLN A 102 8.441 7.965 -9.612 1.00 0.00 C ATOM 1427 CD GLN A 102 7.762 6.610 -9.613 1.00 0.00 C ATOM 1428 OE1 GLN A 102 6.813 6.378 -10.362 1.00 0.00 O ATOM 1429 NE2 GLN A 102 8.248 5.704 -8.771 1.00 0.00 N ATOM 0 H GLN A 102 9.251 10.258 -7.982 1.00 0.00 H new ATOM 0 HA GLN A 102 6.387 9.995 -7.722 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.494 8.841 -9.733 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.808 9.992 -9.863 1.00 0.00 H new ATOM 0 HG2 GLN A 102 8.918 8.129 -10.578 1.00 0.00 H new ATOM 0 HG3 GLN A 102 9.231 7.971 -8.861 1.00 0.00 H new ATOM 0 HE21 GLN A 102 9.036 5.939 -8.168 1.00 0.00 H new ATOM 0 HE22 GLN A 102 7.833 4.773 -8.728 1.00 0.00 H new ATOM 1438 N LEU A 103 6.063 7.624 -6.823 1.00 0.00 N ATOM 1439 CA LEU A 103 5.901 6.426 -6.012 1.00 0.00 C ATOM 1440 C LEU A 103 4.887 5.460 -6.608 1.00 0.00 C ATOM 1441 O LEU A 103 3.686 5.726 -6.608 1.00 0.00 O ATOM 1442 CB LEU A 103 5.465 6.813 -4.598 1.00 0.00 C ATOM 1443 CG LEU A 103 6.599 6.974 -3.589 1.00 0.00 C ATOM 1444 CD1 LEU A 103 6.418 8.246 -2.781 1.00 0.00 C ATOM 1445 CD2 LEU A 103 6.673 5.760 -2.676 1.00 0.00 C ATOM 0 H LEU A 103 5.200 7.985 -7.228 1.00 0.00 H new ATOM 0 HA LEU A 103 6.866 5.919 -5.984 1.00 0.00 H new ATOM 0 HB2 LEU A 103 4.911 7.750 -4.650 1.00 0.00 H new ATOM 0 HB3 LEU A 103 4.775 6.055 -4.227 1.00 0.00 H new ATOM 0 HG LEU A 103 7.540 7.050 -4.134 1.00 0.00 H new ATOM 0 HD11 LEU A 103 7.236 8.343 -2.067 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.417 9.106 -3.451 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.471 8.204 -2.244 1.00 0.00 H new ATOM 0 HD21 LEU A 103 7.487 5.890 -1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 103 5.732 5.652 -2.137 1.00 0.00 H new ATOM 0 HD23 LEU A 103 6.854 4.866 -3.273 1.00 0.00 H new ATOM 1457 N ILE A 104 5.372 4.320 -7.083 1.00 0.00 N ATOM 1458 CA ILE A 104 4.499 3.302 -7.644 1.00 0.00 C ATOM 1459 C ILE A 104 4.222 2.230 -6.597 1.00 0.00 C ATOM 1460 O ILE A 104 5.126 1.496 -6.193 1.00 0.00 O ATOM 1461 CB ILE A 104 5.114 2.649 -8.898 1.00 0.00 C ATOM 1462 CG1 ILE A 104 5.488 3.720 -9.923 1.00 0.00 C ATOM 1463 CG2 ILE A 104 4.147 1.643 -9.503 1.00 0.00 C ATOM 1464 CD1 ILE A 104 6.433 3.225 -10.997 1.00 0.00 C ATOM 0 H ILE A 104 6.363 4.079 -7.090 1.00 0.00 H new ATOM 0 HA ILE A 104 3.569 3.787 -7.939 1.00 0.00 H new ATOM 0 HB ILE A 104 6.020 2.118 -8.606 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.579 4.094 -10.394 1.00 0.00 H new ATOM 0 HG13 ILE A 104 5.948 4.562 -9.406 1.00 0.00 H new ATOM 0 HG21 ILE A 104 4.597 1.192 -10.387 1.00 0.00 H new ATOM 0 HG22 ILE A 104 3.926 0.866 -8.772 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.224 2.150 -9.784 1.00 0.00 H new ATOM 0 HD11 ILE A 104 6.655 4.037 -11.689 1.00 0.00 H new ATOM 0 HD12 ILE A 104 7.358 2.878 -10.536 1.00 0.00 H new ATOM 0 HD13 ILE A 104 5.968 2.403 -11.540 1.00 0.00 H new ATOM 1476 N VAL A 105 2.972 2.153 -6.151 1.00 0.00 N ATOM 1477 CA VAL A 105 2.583 1.180 -5.137 1.00 0.00 C ATOM 1478 C VAL A 105 1.429 0.303 -5.618 1.00 0.00 C ATOM 1479 O VAL A 105 0.620 0.726 -6.442 1.00 0.00 O ATOM 1480 CB VAL A 105 2.174 1.876 -3.822 1.00 0.00 C ATOM 1481 CG1 VAL A 105 3.290 2.783 -3.325 1.00 0.00 C ATOM 1482 CG2 VAL A 105 0.885 2.669 -4.004 1.00 0.00 C ATOM 0 H VAL A 105 2.213 2.752 -6.475 1.00 0.00 H new ATOM 0 HA VAL A 105 3.454 0.551 -4.954 1.00 0.00 H new ATOM 0 HB VAL A 105 1.997 1.104 -3.073 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.982 3.264 -2.397 1.00 0.00 H new ATOM 0 HG12 VAL A 105 4.188 2.191 -3.146 1.00 0.00 H new ATOM 0 HG13 VAL A 105 3.501 3.544 -4.076 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.618 3.150 -3.063 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.031 3.429 -4.772 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.083 1.996 -4.308 1.00 0.00 H new ATOM 1492 N ALA A 106 1.356 -0.915 -5.092 1.00 0.00 N ATOM 1493 CA ALA A 106 0.296 -1.845 -5.464 1.00 0.00 C ATOM 1494 C ALA A 106 -0.456 -2.339 -4.236 1.00 0.00 C ATOM 1495 O ALA A 106 0.119 -2.473 -3.156 1.00 0.00 O ATOM 1496 CB ALA A 106 0.866 -3.022 -6.241 1.00 0.00 C ATOM 0 H ALA A 106 2.018 -1.281 -4.407 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.408 -1.311 -6.102 1.00 0.00 H new ATOM 0 HB1 ALA A 106 0.060 -3.705 -6.510 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.351 -2.659 -7.147 1.00 0.00 H new ATOM 0 HB3 ALA A 106 1.595 -3.546 -5.624 1.00 0.00 H new ATOM 1502 N ARG A 107 -1.744 -2.613 -4.410 1.00 0.00 N ATOM 1503 CA ARG A 107 -2.575 -3.098 -3.314 1.00 0.00 C ATOM 1504 C ARG A 107 -3.833 -3.776 -3.842 1.00 0.00 C ATOM 1505 O ARG A 107 -4.118 -3.737 -5.039 1.00 0.00 O ATOM 1506 CB ARG A 107 -2.952 -1.955 -2.367 1.00 0.00 C ATOM 1507 CG ARG A 107 -3.203 -0.630 -3.067 1.00 0.00 C ATOM 1508 CD ARG A 107 -4.628 -0.536 -3.589 1.00 0.00 C ATOM 1509 NE ARG A 107 -5.604 -0.474 -2.504 1.00 0.00 N ATOM 1510 CZ ARG A 107 -6.920 -0.410 -2.694 1.00 0.00 C ATOM 1511 NH1 ARG A 107 -7.421 -0.398 -3.923 1.00 0.00 N ATOM 1512 NH2 ARG A 107 -7.737 -0.356 -1.651 1.00 0.00 N ATOM 0 H ARG A 107 -2.235 -2.508 -5.298 1.00 0.00 H new ATOM 0 HA ARG A 107 -1.993 -3.833 -2.758 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -3.847 -2.237 -1.812 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -2.153 -1.823 -1.637 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -3.013 0.190 -2.374 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -2.503 -0.516 -3.895 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -4.727 0.350 -4.217 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -4.841 -1.399 -4.220 1.00 0.00 H new ATOM 0 HE ARG A 107 -5.257 -0.480 -1.545 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -6.797 -0.438 -4.729 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -8.430 -0.349 -4.062 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -7.357 -0.364 -0.705 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -8.746 -0.307 -1.795 1.00 0.00 H new ATOM 1683 N ILE B 10 11.718 -1.501 10.697 1.00 0.00 N ATOM 1684 CA ILE B 10 10.894 -0.359 10.337 1.00 0.00 C ATOM 1685 C ILE B 10 11.748 0.844 9.963 1.00 0.00 C ATOM 1686 O ILE B 10 12.387 1.458 10.818 1.00 0.00 O ATOM 1687 CB ILE B 10 9.943 0.036 11.483 1.00 0.00 C ATOM 1688 CG1 ILE B 10 9.254 -1.202 12.069 1.00 0.00 C ATOM 1689 CG2 ILE B 10 8.915 1.033 10.980 1.00 0.00 C ATOM 1690 CD1 ILE B 10 8.058 -1.672 11.268 1.00 0.00 C ATOM 0 HA ILE B 10 10.302 -0.662 9.473 1.00 0.00 H new ATOM 0 HB ILE B 10 10.527 0.502 12.277 1.00 0.00 H new ATOM 0 HG12 ILE B 10 9.979 -2.014 12.133 1.00 0.00 H new ATOM 0 HG13 ILE B 10 8.933 -0.980 13.087 1.00 0.00 H new ATOM 0 HG21 ILE B 10 8.246 1.308 11.795 1.00 0.00 H new ATOM 0 HG22 ILE B 10 9.423 1.924 10.611 1.00 0.00 H new ATOM 0 HG23 ILE B 10 8.337 0.584 10.172 1.00 0.00 H new ATOM 0 HD11 ILE B 10 7.624 -2.551 11.744 1.00 0.00 H new ATOM 0 HD12 ILE B 10 7.313 -0.877 11.226 1.00 0.00 H new ATOM 0 HD13 ILE B 10 8.375 -1.927 10.257 1.00 0.00 H new ATOM 1702 N THR B 11 11.752 1.175 8.679 1.00 0.00 N ATOM 1703 CA THR B 11 12.523 2.308 8.180 1.00 0.00 C ATOM 1704 C THR B 11 11.657 3.560 8.113 1.00 0.00 C ATOM 1705 O THR B 11 10.905 3.757 7.158 1.00 0.00 O ATOM 1706 CB THR B 11 13.088 1.989 6.797 1.00 0.00 C ATOM 1707 OG1 THR B 11 13.562 0.654 6.744 1.00 0.00 O ATOM 1708 CG2 THR B 11 14.230 2.895 6.391 1.00 0.00 C ATOM 0 H THR B 11 11.229 0.674 7.961 1.00 0.00 H new ATOM 0 HA THR B 11 13.347 2.494 8.868 1.00 0.00 H new ATOM 0 HB THR B 11 12.259 2.144 6.106 1.00 0.00 H new ATOM 0 HG1 THR B 11 14.281 0.588 6.082 1.00 0.00 H new ATOM 0 HG21 THR B 11 14.583 2.613 5.399 1.00 0.00 H new ATOM 0 HG22 THR B 11 13.885 3.929 6.373 1.00 0.00 H new ATOM 0 HG23 THR B 11 15.045 2.797 7.108 1.00 0.00 H new ATOM 1716 N LYS B 12 11.763 4.403 9.135 1.00 0.00 N ATOM 1717 CA LYS B 12 10.984 5.634 9.192 1.00 0.00 C ATOM 1718 C LYS B 12 11.526 6.673 8.216 1.00 0.00 C ATOM 1719 O LYS B 12 12.717 6.984 8.221 1.00 0.00 O ATOM 1720 CB LYS B 12 10.987 6.202 10.612 1.00 0.00 C ATOM 1721 CG LYS B 12 9.764 7.050 10.927 1.00 0.00 C ATOM 1722 CD LYS B 12 10.151 8.408 11.493 1.00 0.00 C ATOM 1723 CE LYS B 12 9.864 8.495 12.983 1.00 0.00 C ATOM 1724 NZ LYS B 12 9.876 9.901 13.470 1.00 0.00 N ATOM 0 H LYS B 12 12.380 4.256 9.934 1.00 0.00 H new ATOM 0 HA LYS B 12 9.960 5.395 8.906 1.00 0.00 H new ATOM 0 HB2 LYS B 12 11.042 5.379 11.324 1.00 0.00 H new ATOM 0 HB3 LYS B 12 11.884 6.805 10.752 1.00 0.00 H new ATOM 0 HG2 LYS B 12 9.174 7.188 10.021 1.00 0.00 H new ATOM 0 HG3 LYS B 12 9.131 6.525 11.642 1.00 0.00 H new ATOM 0 HD2 LYS B 12 11.211 8.588 11.315 1.00 0.00 H new ATOM 0 HD3 LYS B 12 9.602 9.191 10.970 1.00 0.00 H new ATOM 0 HE2 LYS B 12 8.893 8.047 13.192 1.00 0.00 H new ATOM 0 HE3 LYS B 12 10.607 7.915 13.530 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 9.676 9.917 14.490 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 10.811 10.321 13.294 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 9.150 10.449 12.966 1.00 0.00 H new ATOM 1738 N VAL B 13 10.639 7.208 7.383 1.00 0.00 N ATOM 1739 CA VAL B 13 11.019 8.217 6.404 1.00 0.00 C ATOM 1740 C VAL B 13 9.899 9.238 6.219 1.00 0.00 C ATOM 1741 O VAL B 13 9.491 9.474 5.062 1.00 0.00 O ATOM 1742 CB VAL B 13 11.359 7.583 5.039 1.00 0.00 C ATOM 1743 CG1 VAL B 13 12.637 6.764 5.134 1.00 0.00 C ATOM 1744 CG2 VAL B 13 10.204 6.726 4.543 1.00 0.00 C ATOM 1745 OXT VAL B 13 9.437 9.793 7.238 1.00 0.00 O ATOM 0 H VAL B 13 9.650 6.958 7.368 1.00 0.00 H new ATOM 0 HA VAL B 13 11.909 8.717 6.787 1.00 0.00 H new ATOM 0 HB VAL B 13 11.521 8.385 4.318 1.00 0.00 H new ATOM 0 HG11 VAL B 13 12.861 6.325 4.162 1.00 0.00 H new ATOM 0 HG12 VAL B 13 13.461 7.409 5.439 1.00 0.00 H new ATOM 0 HG13 VAL B 13 12.507 5.970 5.870 1.00 0.00 H new ATOM 0 HG21 VAL B 13 10.464 6.288 3.579 1.00 0.00 H new ATOM 0 HG22 VAL B 13 10.006 5.931 5.262 1.00 0.00 H new ATOM 0 HG23 VAL B 13 9.313 7.345 4.432 1.00 0.00 H new